2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide

C17H20F2N8O — CID 162676016

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCn1cc(NC(=O)c2ncn3ccc(N4CCC[C@@H](N)C4)nc23)c(C(F)F)n1
InChIInChI=1S/C17H20F2N8O/c1-25-8-11(13(24-25)15(18)19)22-17(28)14-16-23-12(4-6-27(16)9-21-14)26-5-2-3-10(20)7-26/h4,6,8-10,15H,2-3,5,7,20H2,1H3,(H,22,28)/t10-/m1/s1
InChIKeyZZEZSVVLJPMZNN-SNVBAGLBSA-N
MW390.40 g/mol
LogP1.58
Rot. Bonds4

About 2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide

2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 162676016) has the molecular formula C17H20F2N8O and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID162676016
Molecular FormulaC17H20F2N8O
Molecular Weight390.40 g/mol
Exact Mass390.17
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCn1cc(NC(=O)c2ncn3ccc(N4CCC[C@@H](N)C4)nc23)c(C(F)F)n1
InChIInChI=1S/C17H20F2N8O/c1-25-8-11(13(24-25)15(18)19)22-17(28)14-16-23-12(4-6-27(16)9-21-14)26-5-2-3-10(20)7-26/h4,6,8-10,15H,2-3,5,7,20H2,1H3,(H,22,28)/t10-/m1/s1
InChIKeyZZEZSVVLJPMZNN-SNVBAGLBSA-N
XLogP1.58
TPSA106.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide (CID 162676016) is 2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide is Cn1cc(NC(=O)c2ncn3ccc(N4CCC[C@@H](N)C4)nc23)c(C(F)F)n1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is ZZEZSVVLJPMZNN-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H20F2N8O/c1-25-8-11(13(24-25)15(18)19)22-17(28)14-16-23-12(4-6-27(16)9-21-14)26-5-2-3-10(20)7-26/h4,6,8-10,15H,2-3,5,7,20H2,1H3,(H,22,28)/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide?
2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 162676016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).