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

C18H21N7O2 — CID 155598623

IUPAC2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)c2nc(-n3ccnc3)nc3cc[nH]c23)CC1
InChIInChI=1S/C18H21N7O2/c1-19-16(26)11-2-4-12(5-3-11)22-17(27)15-14-13(6-7-21-14)23-18(24-15)25-9-8-20-10-25/h6-12,21H,2-5H2,1H3,(H,19,26)(H,22,27)
InChIKeyBZNQUGRFGNDHLN-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.18
Rot. Bonds4

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

2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 155598623) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID155598623
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)c2nc(-n3ccnc3)nc3cc[nH]c23)CC1
InChIInChI=1S/C18H21N7O2/c1-19-16(26)11-2-4-12(5-3-11)22-17(27)15-14-13(6-7-21-14)23-18(24-15)25-9-8-20-10-25/h6-12,21H,2-5H2,1H3,(H,19,26)(H,22,27)
InChIKeyBZNQUGRFGNDHLN-UHFFFAOYSA-N
XLogP1.18
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 155598623) is 2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is CNC(=O)C1CCC(NC(=O)c2nc(-n3ccnc3)nc3cc[nH]c23)CC1.
What is the InChIKey of 2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is BZNQUGRFGNDHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-19-16(26)11-2-4-12(5-3-11)22-17(27)15-14-13(6-7-21-14)23-18(24-15)25-9-8-20-10-25/h6-12,21H,2-5H2,1H3,(H,19,26)(H,22,27).
What are the key properties of 2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 155598623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).