2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine

C23H20ClF2N9 — CID 166164003

IUPAC2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ccc(-c3nc(N)nc(N[C@@H](Cc4cccc(Cl)c4)c4ccn(C(F)F)n4)n3)cn12
InChIInChI=1S/C23H20ClF2N9/c1-13-28-11-17-6-5-15(12-34(13)17)20-30-22(27)32-23(31-20)29-19(10-14-3-2-4-16(24)9-14)18-7-8-35(33-18)21(25)26/h2-9,11-12,19,21H,10H2,1H3,(H3,27,29,30,31,32)/t19-/m0/s1
InChIKeyLPWLXHCVGCKCKC-IBGZPJMESA-N
MW495.93 g/mol
LogP4.72
Rot. Bonds7

About 2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine

2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 166164003) has the molecular formula C23H20ClF2N9 and a molecular weight of 495.93 g/mol. Its IUPAC name is 2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine
PubChem CID166164003
Molecular FormulaC23H20ClF2N9
Molecular Weight495.93 g/mol
Exact Mass495.15
IUPAC Name2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ccc(-c3nc(N)nc(N[C@@H](Cc4cccc(Cl)c4)c4ccn(C(F)F)n4)n3)cn12
InChIInChI=1S/C23H20ClF2N9/c1-13-28-11-17-6-5-15(12-34(13)17)20-30-22(27)32-23(31-20)29-19(10-14-3-2-4-16(24)9-14)18-7-8-35(33-18)21(25)26/h2-9,11-12,19,21H,10H2,1H3,(H3,27,29,30,31,32)/t19-/m0/s1
InChIKeyLPWLXHCVGCKCKC-IBGZPJMESA-N
XLogP4.72
TPSA111.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.93
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine (CID 166164003) is 2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine is Cc1ncc2ccc(-c3nc(N)nc(N[C@@H](Cc4cccc(Cl)c4)c4ccn(C(F)F)n4)n3)cn12.
What is the InChIKey of 2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LPWLXHCVGCKCKC-IBGZPJMESA-N. The full InChI is InChI=1S/C23H20ClF2N9/c1-13-28-11-17-6-5-15(12-34(13)17)20-30-22(27)32-23(31-20)29-19(10-14-3-2-4-16(24)9-14)18-7-8-35(33-18)21(25)26/h2-9,11-12,19,21H,10H2,1H3,(H3,27,29,30,31,32)/t19-/m0/s1.
What are the key properties of 2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine?
2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 495.93 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 166164003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).