7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

C24H29F3N10O2 — CID 167596100

IUPAC7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCCCOc1ncc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1C(F)(F)F
InChIInChI=1S/C24H29F3N10O2/c1-3-11-38-21-17(24(25,26)27)13-16(15-30-21)36-9-7-35(8-10-36)6-5-34(2)18-14-19-31-20(22-29-4-12-39-22)33-37(19)23(28)32-18/h4,12-15H,3,5-11H2,1-2H3,(H2,28,32)
InChIKeyMEHWGYLXIGMDTL-UHFFFAOYSA-N
MW546.56 g/mol
LogP2.82
Rot. Bonds9

About 7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 167596100) has the molecular formula C24H29F3N10O2 and a molecular weight of 546.56 g/mol. Its IUPAC name is 7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
PubChem CID167596100
Molecular FormulaC24H29F3N10O2
Molecular Weight546.56 g/mol
Exact Mass546.24
IUPAC Name7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCCCOc1ncc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1C(F)(F)F
InChIInChI=1S/C24H29F3N10O2/c1-3-11-38-21-17(24(25,26)27)13-16(15-30-21)36-9-7-35(8-10-36)6-5-34(2)18-14-19-31-20(22-29-4-12-39-22)33-37(19)23(28)32-18/h4,12-15H,3,5-11H2,1-2H3,(H2,28,32)
InChIKeyMEHWGYLXIGMDTL-UHFFFAOYSA-N
XLogP2.82
TPSA126.97 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.56
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine with MolForge

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Related Compounds

8-(Furan-2-yl)-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10203891
5-Amino-8-(furan-2-yl)-1-methyl-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-2-one
CID 56943869
5-Amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one
CID 56943966
2-((3-Fluoropyridin-2-yl)methyl)-8-(3-methylimi dazo[l,2-a]pyridin-6-yl)-7-(oxazol-2-yl)-[l,2,4] triazolo[l,5-c]pyrimidin-5-amine
CID 146490628
2-((3-(difluoromethoxy)pyridin-2-yl)methyI)-8-(imidazo[1,2-a]pyridin-6-yl)-7-(oxazol-2-yl)-[1,2, 4]triazolo[1,5-c]pyrimidin-5-amine
CID 155371223
N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
CID 90677029
2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76287699
2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199752
9-[[4-[3-(1-acetylpiperidin-4-yl)pyrazol-1-yl]phenyl]methyl]-2-[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]-7H-purin-8-one
CID 129140073
5-(5-amino-2-((3-fluoropyridin-2-yl)methyl)-7-(oxazol-2-yl)-[l,2,4]triazolo[l,5-c]pyrimidin-8-yl)-1-methylpyridin-2(1H)-one
CID 146490863
5-(5-Amino-2-[[3-(difluoromethoxy)pyridin-2-yl] methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c] pyrimidin-8-yl)-l-methyl-1,2-dihydropyridin-2-one
CID 146490906
5-(5-amino-2-((3-fluoropyridin-2-yl)methyl)-7-(oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl)-1-isopropylpyridin-2(1H)-one
CID 146491142

Frequently Asked Questions

What is the IUPAC name of 7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 167596100) is 7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.
What is the SMILES notation for 7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is CCCOc1ncc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1C(F)(F)F.
What is the InChIKey of 7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The InChIKey is MEHWGYLXIGMDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N10O2/c1-3-11-38-21-17(24(25,26)27)13-16(15-30-21)36-9-7-35(8-10-36)6-5-34(2)18-14-19-31-20(22-29-4-12-39-22)33-37(19)23(28)32-18/h4,12-15H,3,5-11H2,1-2H3,(H2,28,32).
What are the key properties of 7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 546.56 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-methyl-2-(1,3-oxazol-2-yl)-7-N-[2-[4-[6-propoxy-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 167596100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).