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

C19H25N7O2 — CID 155786397

IUPAC2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESCNCCOC1CCC(NC(=O)c2nc(-n3ccnc3)nc3cc[nH]c23)CC1
InChIInChI=1S/C19H25N7O2/c1-20-9-11-28-14-4-2-13(3-5-14)23-18(27)17-16-15(6-7-22-16)24-19(25-17)26-10-8-21-12-26/h6-8,10,12-14,20,22H,2-5,9,11H2,1H3,(H,23,27)
InChIKeyNACFPSOVZSZLGW-UHFFFAOYSA-N
MW383.46 g/mol
LogP1.42
Rot. Bonds7

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

2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 155786397) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID155786397
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESCNCCOC1CCC(NC(=O)c2nc(-n3ccnc3)nc3cc[nH]c23)CC1
InChIInChI=1S/C19H25N7O2/c1-20-9-11-28-14-4-2-13(3-5-14)23-18(27)17-16-15(6-7-22-16)24-19(25-17)26-10-8-21-12-26/h6-8,10,12-14,20,22H,2-5,9,11H2,1H3,(H,23,27)
InChIKeyNACFPSOVZSZLGW-UHFFFAOYSA-N
XLogP1.42
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786395
N-[4-(2-hydroxy-3-methylbutoxy)cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 175222064
N-[4-[(2S)-2-hydroxy-2,3-dimethylbutoxy]cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[4-[(2R)-2-hydroxy-2,3-dimethylbutoxy]cyclohexyl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 162221230
2-imidazol-1-yl-N-[4-(methylcarbamoyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155598623
2-imidazol-1-yl-N-[4-(2-methoxypropan-2-yl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786376
2-imidazol-1-yl-N-[4-(3,3,3-trifluoropropyl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 158260547
2-imidazol-1-yl-N-[4-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-2-oxobutyl]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;2-imidazol-1-yl-N-[4-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methyl-2-oxobutyl]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 158490945
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155598624
N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155598626
2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786359
N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-5-imidazol-1-yl-1H-indole-7-carboxamide
CID 130405298
2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885976

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 155786397) is 2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is CNCCOC1CCC(NC(=O)c2nc(-n3ccnc3)nc3cc[nH]c23)CC1.
What is the InChIKey of 2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is NACFPSOVZSZLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-20-9-11-28-14-4-2-13(3-5-14)23-18(27)17-16-15(6-7-22-16)24-19(25-17)26-10-8-21-12-26/h6-8,10,12-14,20,22H,2-5,9,11H2,1H3,(H,23,27).
What are the key properties of 2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 155786397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).