4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine

C63H71F4N37 — CID 159710414

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(Nc1nc(N)nc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1.CC(Nc1nc(N)nc(Nc2cc(C3CC3)[nH]n2)n1)c1ccccn1.CC(Nc1nc(N)nc(Nc2cc(C3CC3)[nH]n2)n1)c1ncc(F)cc1F.CC(Nc1nc(N)nc(Nc2cc(C3CC3)[nH]n2)n1)c1ncc(F)cn1
InChIInChI=1S/C16H17F2N9.C16H18FN9.C16H19N9.C15H17FN10/c1-7(13-10(18)4-9(17)6-20-13)21-15-23-14(19)24-16(25-15)22-12-5-11(26-27-12)8-2-3-8;1-8(11-5-4-10(17)7-19-11)20-15-22-14(18)23-16(24-15)21-13-6-12(25-26-13)9-2-3-9;1-9(11-4-2-3-7-18-11)19-15-21-14(17)22-16(23-15)20-13-8-12(24-25-13)10-5-6-10;1-7(12-18-5-9(16)6-19-12)20-14-22-13(17)23-15(24-14)21-11-4-10(25-26-11)8-2-3-8/h4-8H,2-3H2,1H3,(H5,19,21,22,23,24,25,26,27);4-9H,2-3H2,1H3,(H5,18,20,21,22,23,24,25,26);2-4,7-10H,5-6H2,1H3,(H5,17,19,20,21,22,23,24,25);4-8H,2-3H2,1H3,(H5,17,20,21,22,23,24,25,26)
InChIKeyMYTLRLVHBIKJRM-UHFFFAOYSA-N
MW1422.51 g/mol
LogP9.42
Rot. Bonds24

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 159710414) has the molecular formula C63H71F4N37 and a molecular weight of 1422.51 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID159710414
Molecular FormulaC63H71F4N37
Molecular Weight1422.51 g/mol
Exact Mass1421.66
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(Nc1nc(N)nc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1.CC(Nc1nc(N)nc(Nc2cc(C3CC3)[nH]n2)n1)c1ccccn1.CC(Nc1nc(N)nc(Nc2cc(C3CC3)[nH]n2)n1)c1ncc(F)cc1F.CC(Nc1nc(N)nc(Nc2cc(C3CC3)[nH]n2)n1)c1ncc(F)cn1
InChIInChI=1S/C16H17F2N9.C16H18FN9.C16H19N9.C15H17FN10/c1-7(13-10(18)4-9(17)6-20-13)21-15-23-14(19)24-16(25-15)22-12-5-11(26-27-12)8-2-3-8;1-8(11-5-4-10(17)7-19-11)20-15-22-14(18)23-16(24-15)21-13-6-12(25-26-13)9-2-3-9;1-9(11-4-2-3-7-18-11)19-15-21-14(17)22-16(23-15)20-13-8-12(24-25-13)10-5-6-10;1-7(12-18-5-9(16)6-19-12)20-14-22-13(17)23-15(24-14)21-11-4-10(25-26-11)8-2-3-8/h4-8H,2-3H2,1H3,(H5,19,21,22,23,24,25,26,27);4-9H,2-3H2,1H3,(H5,18,20,21,22,23,24,25,26);2-4,7-10H,5-6H2,1H3,(H5,17,19,20,21,22,23,24,25);4-8H,2-3H2,1H3,(H5,17,20,21,22,23,24,25,26)
InChIKeyMYTLRLVHBIKJRM-UHFFFAOYSA-N
XLogP9.42
TPSA534.17 Ų
H-Bond Donors16
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001422.51
LogP ≤ 59.42
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1033

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-5-Fluoro-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(1-(5-fluoropyridin-2-yl)ethyl)pyrimidine-2,4-diamine
CID 24949552
Lunbotinib
CID 146013180
2-[6-[6-[[6-(5-fluoro-1H-pyrrol-2-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 154684866
2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 42603031
2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-[5-(2-pyridin-3-ylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 68908345
1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine
CID 87151742
N-[1-[2-ethenyl-1-[4-piperidin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-2-yl]pyrrolidin-3-yl]-4-methylpyridin-1-ium-2-yl]-2-(1-methylpyrazol-4-yl)-6-piperidin-4-ylpyrimidin-4-amine
CID 123880165
N-[3-[2-[1-[[2-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]methyl]-5-[5-(propan-2-ylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137246347
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,6-diamine
CID 137351448
N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-[[4-[3-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]propyl]piperazin-1-yl]methyl]pyrazolo[3,4-b]pyridin-3-amine
CID 142858431
ethane;2-(1-methylpyrazol-4-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine;6-piperidin-4-yl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 144740159
2-[5-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane
CID 145035331

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine (CID 159710414) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine is CC(Nc1nc(N)nc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1.CC(Nc1nc(N)nc(Nc2cc(C3CC3)[nH]n2)n1)c1ccccn1.CC(Nc1nc(N)nc(Nc2cc(C3CC3)[nH]n2)n1)c1ncc(F)cc1F.CC(Nc1nc(N)nc(Nc2cc(C3CC3)[nH]n2)n1)c1ncc(F)cn1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MYTLRLVHBIKJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N9.C16H18FN9.C16H19N9.C15H17FN10/c1-7(13-10(18)4-9(17)6-20-13)21-15-23-14(19)24-16(25-15)22-12-5-11(26-27-12)8-2-3-8;1-8(11-5-4-10(17)7-19-11)20-15-22-14(18)23-16(24-15)21-13-6-12(25-26-13)9-2-3-9;1-9(11-4-2-3-7-18-11)19-15-21-14(17)22-16(23-15)20-13-8-12(24-25-13)10-5-6-10;1-7(12-18-5-9(16)6-19-12)20-14-22-13(17)23-15(24-14)21-11-4-10(25-26-11)8-2-3-8/h4-8H,2-3H2,1H3,(H5,19,21,22,23,24,25,26,27);4-9H,2-3H2,1H3,(H5,18,20,21,22,23,24,25,26);2-4,7-10H,5-6H2,1H3,(H5,17,19,20,21,22,23,24,25);4-8H,2-3H2,1H3,(H5,17,20,21,22,23,24,25,26).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1422.51 g/mol, XLogP of 9.42, 24 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159710414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).