N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide

C24H29N7O2 — CID 117079484

IUPACN-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide
SMILESCCCNc1nc(-c2ccc(C(=O)NC3CC3)cc2)nc2c1ncn2CCN1CCCC1=O
InChIInChI=1S/C24H29N7O2/c1-2-11-25-22-20-23(31(15-26-20)14-13-30-12-3-4-19(30)32)29-21(28-22)16-5-7-17(8-6-16)24(33)27-18-9-10-18/h5-8,15,18H,2-4,9-14H2,1H3,(H,27,33)(H,25,28,29)
InChIKeyXNQJKOFBNUQPKS-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.83
Rot. Bonds9

About N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide

N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide (PubChem CID 117079484) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide
PubChem CID117079484
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC NameN-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide
SMILESCCCNc1nc(-c2ccc(C(=O)NC3CC3)cc2)nc2c1ncn2CCN1CCCC1=O
InChIInChI=1S/C24H29N7O2/c1-2-11-25-22-20-23(31(15-26-20)14-13-30-12-3-4-19(30)32)29-21(28-22)16-5-7-17(8-6-16)24(33)27-18-9-10-18/h5-8,15,18H,2-4,9-14H2,1H3,(H,27,33)(H,25,28,29)
InChIKeyXNQJKOFBNUQPKS-UHFFFAOYSA-N
XLogP2.83
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-9-[[4-(trifluoromethyl)phenyl]methyl]purin-2-yl]benzamide
CID 117092000
1-[2-[2-(3-acetylphenyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117087785
1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117082328
1-[2-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-6-(2-phenoxyethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117080612
N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide
CID 117080069
1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117084319
1-[2-[2-(6-methoxy-3-pyridinyl)-6-(2-phenoxyethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117082665
1-[2-[2-(3-acetylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]purin-9-yl]ethyl]pyrrolidin-2-one
CID 117086122
4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-9-phenylpurin-2-yl]benzamide
CID 117082227
1-[3-[[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-9-propan-2-ylpurin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117081557
N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379600
4-[6-(benzylamino)-9-phenylpurin-2-yl]-N-cyclopropylbenzamide
CID 117086485

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide (CID 117079484) is N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide is CCCNc1nc(-c2ccc(C(=O)NC3CC3)cc2)nc2c1ncn2CCN1CCCC1=O.
What is the InChIKey of N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide?
The InChIKey is XNQJKOFBNUQPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-2-11-25-22-20-23(31(15-26-20)14-13-30-12-3-4-19(30)32)29-21(28-22)16-5-7-17(8-6-16)24(33)27-18-9-10-18/h5-8,15,18H,2-4,9-14H2,1H3,(H,27,33)(H,25,28,29).
What are the key properties of N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide?
N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide has a molecular weight of 447.54 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide is sourced from PubChem (CID 117079484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).