2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

C21H22N8O3 — CID 155786430

IUPAC2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)nc1)c1nc(-n2ccnc2)nc2cc[nH]c12
InChIInChI=1S/C21H22N8O3/c30-20(19-18-16(3-4-23-18)26-21(27-19)29-6-5-22-14-29)25-15-1-2-17(24-13-15)32-12-9-28-7-10-31-11-8-28/h1-6,13-14,23H,7-12H2,(H,25,30)
InChIKeyKOXGWJKTAGBAPY-UHFFFAOYSA-N
MW434.46 g/mol
LogP1.50
Rot. Bonds7

About 2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 155786430) has the molecular formula C21H22N8O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID155786430
Molecular FormulaC21H22N8O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)nc1)c1nc(-n2ccnc2)nc2cc[nH]c12
InChIInChI=1S/C21H22N8O3/c30-20(19-18-16(3-4-23-18)26-21(27-19)29-6-5-22-14-29)25-15-1-2-17(24-13-15)32-12-9-28-7-10-31-11-8-28/h1-6,13-14,23H,7-12H2,(H,25,30)
InChIKeyKOXGWJKTAGBAPY-UHFFFAOYSA-N
XLogP1.50
TPSA123.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(6-bromo-3-pyridinyl)-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786221
N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-indole-6-carboxamide
CID 84561960
N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 84559427
2-imidazol-1-yl-N-(1-methylimidazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786359
3-ethoxy-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]benzamide
CID 84559063
2-imidazol-1-yl-N-[4-[2-(methylamino)ethoxy]cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786397
1-(3-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]urea
CID 84559837
2-imidazol-1-yl-N-[4-(2-methoxypropan-2-yl)cyclohexyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786376
4-(4-chlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-4-oxobutanamide
CID 84558648
N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-imidazol-1-yl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155598626
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide
CID 84560023
4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 155786430) is 2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is O=C(Nc1ccc(OCCN2CCOCC2)nc1)c1nc(-n2ccnc2)nc2cc[nH]c12.
What is the InChIKey of 2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is KOXGWJKTAGBAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O3/c30-20(19-18-16(3-4-23-18)26-21(27-19)29-6-5-22-14-29)25-15-1-2-17(24-13-15)32-12-9-28-7-10-31-11-8-28/h1-6,13-14,23H,7-12H2,(H,25,30).
What are the key properties of 2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 155786430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).