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

C27H31N5O3 — CID 67956960

IUPACN-(5-acetyl-5-azaspiro[2.4]heptan-7-yl)-4-[2-(cyclopropylmethoxy)-5-methylphenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCC(=O)N1CC(NC(=O)c2c(C)[nH]c3c(-c4cc(C)ccc4OCC4CC4)ncnc23)C2(CC2)C1
InChIInChI=1S/C27H31N5O3/c1-15-4-7-20(35-12-18-5-6-18)19(10-15)23-25-24(29-14-28-23)22(16(2)30-25)26(34)31-21-11-32(17(3)33)13-27(21)8-9-27/h4,7,10,14,18,21,30H,5-6,8-9,11-13H2,1-3H3,(H,31,34)
InChIKeyFANMPHCVHABRPV-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.77
Rot. Bonds6

About 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

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 (PubChem CID 67956960) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(5-acetyl-5-azaspiro[2.4]heptan-7-yl)-4-[2-(cyclopropylmethoxy)-5-methylphenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
PubChem CID67956960
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC NameN-(5-acetyl-5-azaspiro[2.4]heptan-7-yl)-4-[2-(cyclopropylmethoxy)-5-methylphenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCC(=O)N1CC(NC(=O)c2c(C)[nH]c3c(-c4cc(C)ccc4OCC4CC4)ncnc23)C2(CC2)C1
InChIInChI=1S/C27H31N5O3/c1-15-4-7-20(35-12-18-5-6-18)19(10-15)23-25-24(29-14-28-23)22(16(2)30-25)26(34)31-21-11-32(17(3)33)13-27(21)8-9-27/h4,7,10,14,18,21,30H,5-6,8-9,11-13H2,1-3H3,(H,31,34)
InChIKeyFANMPHCVHABRPV-UHFFFAOYSA-N
XLogP3.77
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CC(NC(=O)c2c(C)[nH]c3c(-c4cc(C)ccc4OCC4CC4)ncnc23)C2(CC2)C1.
What is the InChIKey of 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?
The InChIKey is FANMPHCVHABRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-15-4-7-20(35-12-18-5-6-18)19(10-15)23-25-24(29-14-28-23)22(16(2)30-25)26(34)31-21-11-32(17(3)33)13-27(21)8-9-27/h4,7,10,14,18,21,30H,5-6,8-9,11-13H2,1-3H3,(H,31,34).
What are the key properties of 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?
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 has a molecular weight of 473.58 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67956960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).