4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

C27H33N5O4 — CID 67957341

IUPAC4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CN(C(=O)CO)CC4(C)C)c(C)[nH]c23)c1
InChIInChI=1S/C27H33N5O4/c1-15-5-8-19(36-12-17-6-7-17)18(9-15)23-25-24(29-14-28-23)22(16(2)30-25)26(35)31-20-10-32(21(34)11-33)13-27(20,3)4/h5,8-9,14,17,20,30,33H,6-7,10-13H2,1-4H3,(H,31,35)
InChIKeySOYASXZFPZRRJO-UHFFFAOYSA-N
MW491.59 g/mol
LogP2.99
Rot. Bonds7

About 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (PubChem CID 67957341) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
PubChem CID67957341
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC Name4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CN(C(=O)CO)CC4(C)C)c(C)[nH]c23)c1
InChIInChI=1S/C27H33N5O4/c1-15-5-8-19(36-12-17-6-7-17)18(9-15)23-25-24(29-14-28-23)22(16(2)30-25)26(35)31-20-10-32(21(34)11-33)13-27(20,3)4/h5,8-9,14,17,20,30,33H,6-7,10-13H2,1-4H3,(H,31,35)
InChIKeySOYASXZFPZRRJO-UHFFFAOYSA-N
XLogP2.99
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[(7S)-5-(2-hydroxyacetyl)-5-azaspiro[2.4]heptan-7-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67956448
4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[(3R)-4,4-difluoro-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67956883
N-(5-acetyl-5-azaspiro[2.4]heptan-7-yl)-4-[2-(cyclopropylmethoxy)-5-methylphenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67956960
4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[(3S,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67955789
4-[2-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]-N-[1-[(2S)-2-hydroxypropanoyl]-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67957496
4-[2-(cyclopropylmethoxy)-5-methylphenyl]-6-methyl-N-(1-propanoylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 50992432
4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-N-[(3S,4S)-4-fluoro-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67956699
4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[(1R,2S)-2-hydroxycyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67955731
N-(1-tert-butylpiperidin-4-yl)-4-[2-(cyclopropylmethoxy)-5-methylphenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 160591539
4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[(1R,2S)-2-fluorocyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67955382
4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67955713
4-[2-(cyclopropylmethoxy)-4-fluorophenyl]-N-[(3R,4R)-4-hydroxy-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 67956331

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (CID 67957341) is 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is Cc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CN(C(=O)CO)CC4(C)C)c(C)[nH]c23)c1.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is SOYASXZFPZRRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-15-5-8-19(36-12-17-6-7-17)18(9-15)23-25-24(29-14-28-23)22(16(2)30-25)26(35)31-20-10-32(21(34)11-33)13-27(20,3)4/h5,8-9,14,17,20,30,33H,6-7,10-13H2,1-4H3,(H,31,35).
What are the key properties of 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[1-(2-hydroxyacetyl)-4,4-dimethylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 67957341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).