6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one

C17H17F2N9O — CID 171803184

IUPAC6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one
SMILESCC(C)(Nc1nc(N)nc(-c2ccc3c[nH]c(=O)n3c2)n1)c1ccn(C(F)F)n1
InChIInChI=1S/C17H17F2N9O/c1-17(2,11-5-6-28(26-11)13(18)19)25-15-23-12(22-14(20)24-15)9-3-4-10-7-21-16(29)27(10)8-9/h3-8,13H,1-2H3,(H,21,29)(H3,20,22,23,24,25)
InChIKeyJJIXWEQGWAXXCD-UHFFFAOYSA-N
MW401.38 g/mol
LogP2.00
Rot. Bonds5

About 6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one

6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one (PubChem CID 171803184) has the molecular formula C17H17F2N9O and a molecular weight of 401.38 g/mol. Its IUPAC name is 6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one
PubChem CID171803184
Molecular FormulaC17H17F2N9O
Molecular Weight401.38 g/mol
Exact Mass401.15
IUPAC Name6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one
SMILESCC(C)(Nc1nc(N)nc(-c2ccc3c[nH]c(=O)n3c2)n1)c1ccn(C(F)F)n1
InChIInChI=1S/C17H17F2N9O/c1-17(2,11-5-6-28(26-11)13(18)19)25-15-23-12(22-14(20)24-15)9-3-4-10-7-21-16(29)27(10)8-9/h3-8,13H,1-2H3,(H,21,29)(H3,20,22,23,24,25)
InChIKeyJJIXWEQGWAXXCD-UHFFFAOYSA-N
XLogP2.00
TPSA131.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one (CID 171803184) is 6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one is CC(C)(Nc1nc(N)nc(-c2ccc3c[nH]c(=O)n3c2)n1)c1ccn(C(F)F)n1.
What is the InChIKey of 6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one?
The InChIKey is JJIXWEQGWAXXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N9O/c1-17(2,11-5-6-28(26-11)13(18)19)25-15-23-12(22-14(20)24-15)9-3-4-10-7-21-16(29)27(10)8-9/h3-8,13H,1-2H3,(H,21,29)(H3,20,22,23,24,25).
What are the key properties of 6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one?
6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one has a molecular weight of 401.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-amino-6-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-ylamino]-1,3,5-triazin-2-yl]-2H-imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 171803184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).