4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine

C24H24F3N7O — CID 145179661

IUPAC4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCCCC3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H24F3N7O/c1-35-19-12-16(24(25,26)27)11-18(13-19)30-23-31-20(15-22(32-23)33-7-3-2-4-8-33)29-17-5-9-34-10-6-28-21(34)14-17/h5-6,9-15H,2-4,7-8H2,1H3,(H2,29,30,31,32)
InChIKeyKCIZVSXWJZBXDW-UHFFFAOYSA-N
MW483.50 g/mol
LogP5.63
Rot. Bonds6

About 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine

4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine (PubChem CID 145179661) has the molecular formula C24H24F3N7O and a molecular weight of 483.50 g/mol. Its IUPAC name is 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine
PubChem CID145179661
Molecular FormulaC24H24F3N7O
Molecular Weight483.50 g/mol
Exact Mass483.20
IUPAC Name4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCCCC3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H24F3N7O/c1-35-19-12-16(24(25,26)27)11-18(13-19)30-23-31-20(15-22(32-23)33-7-3-2-4-8-33)29-17-5-9-34-10-6-28-21(34)14-17/h5-6,9-15H,2-4,7-8H2,1H3,(H2,29,30,31,32)
InChIKeyKCIZVSXWJZBXDW-UHFFFAOYSA-N
XLogP5.63
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.50
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine 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

3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
CID 145179646
N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide
CID 145179634
2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 139450142
4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 139450018
6-(aziridin-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 145179592
2-N-(4-methoxyphenyl)-6-piperidin-1-yl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 57399459
4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 145179637
4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 142666875
4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 139450029
6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 145179598
2-N-[6-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 139450206
2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 139450069

Frequently Asked Questions

What is the IUPAC name of 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine (CID 145179661) is 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine is COc1cc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCCCC3)n2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine?
The InChIKey is KCIZVSXWJZBXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O/c1-35-19-12-16(24(25,26)27)11-18(13-19)30-23-31-20(15-22(32-23)33-7-3-2-4-8-33)29-17-5-9-34-10-6-28-21(34)14-17/h5-6,9-15H,2-4,7-8H2,1H3,(H2,29,30,31,32).
What are the key properties of 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine?
4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine has a molecular weight of 483.50 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 145179661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).