N-(1-acetylpiperidin-4-yl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

C17H19N7O2 — CID 155786260

IUPACN-(1-acetylpiperidin-4-yl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2nc(-n3ccnc3)nc3cc[nH]c23)CC1
InChIInChI=1S/C17H19N7O2/c1-11(25)23-7-3-12(4-8-23)20-16(26)15-14-13(2-5-19-14)21-17(22-15)24-9-6-18-10-24/h2,5-6,9-10,12,19H,3-4,7-8H2,1H3,(H,20,26)
InChIKeyRVHWQGABYYSQFB-UHFFFAOYSA-N
MW353.39 g/mol
LogP0.88
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

N-(1-acetylpiperidin-4-yl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 155786260) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID155786260
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2nc(-n3ccnc3)nc3cc[nH]c23)CC1
InChIInChI=1S/C17H19N7O2/c1-11(25)23-7-3-12(4-8-23)20-16(26)15-14-13(2-5-19-14)21-17(22-15)24-9-6-18-10-24/h2,5-6,9-10,12,19H,3-4,7-8H2,1H3,(H,20,26)
InChIKeyRVHWQGABYYSQFB-UHFFFAOYSA-N
XLogP0.88
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 155786260) is N-(1-acetylpiperidin-4-yl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is CC(=O)N1CCC(NC(=O)c2nc(-n3ccnc3)nc3cc[nH]c23)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is RVHWQGABYYSQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-11(25)23-7-3-12(4-8-23)20-16(26)15-14-13(2-5-19-14)21-17(22-15)24-9-6-18-10-24/h2,5-6,9-10,12,19H,3-4,7-8H2,1H3,(H,20,26).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
N-(1-acetylpiperidin-4-yl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 155786260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).