N-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide

C24H27N7O — CID 66801936

IUPACN-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide
SMILESCn1c(C(=O)NCC2CC2)nc2c(N3CCC(c4c[nH]c5ccccc45)CC3)ncnc21
InChIInChI=1S/C24H27N7O/c1-30-21-20(29-23(30)24(32)26-12-15-6-7-15)22(28-14-27-21)31-10-8-16(9-11-31)18-13-25-19-5-3-2-4-17(18)19/h2-5,13-16,25H,6-12H2,1H3,(H,26,32)
InChIKeyGLEMWQCRGUKFIU-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.37
Rot. Bonds5

About N-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide

N-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide (PubChem CID 66801936) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide
PubChem CID66801936
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC NameN-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide
SMILESCn1c(C(=O)NCC2CC2)nc2c(N3CCC(c4c[nH]c5ccccc45)CC3)ncnc21
InChIInChI=1S/C24H27N7O/c1-30-21-20(29-23(30)24(32)26-12-15-6-7-15)22(28-14-27-21)31-10-8-16(9-11-31)18-13-25-19-5-3-2-4-17(18)19/h2-5,13-16,25H,6-12H2,1H3,(H,26,32)
InChIKeyGLEMWQCRGUKFIU-UHFFFAOYSA-N
XLogP3.37
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-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-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide (CID 66801936) is N-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide is Cn1c(C(=O)NCC2CC2)nc2c(N3CCC(c4c[nH]c5ccccc45)CC3)ncnc21.
What is the InChIKey of N-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide?
The InChIKey is GLEMWQCRGUKFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-30-21-20(29-23(30)24(32)26-12-15-6-7-15)22(28-14-27-21)31-10-8-16(9-11-31)18-13-25-19-5-3-2-4-17(18)19/h2-5,13-16,25H,6-12H2,1H3,(H,26,32).
What are the key properties of N-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide?
N-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide is sourced from PubChem (CID 66801936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).