N-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide

C17H23N5O — CID 129336564

IUPACN-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(C[C@H]1CCCN1Cc1cnc2ncccn12)C1CC1
InChIInChI=1S/C17H23N5O/c1-13(23)22(14-5-6-14)12-15-4-2-8-20(15)11-16-10-19-17-18-7-3-9-21(16)17/h3,7,9-10,14-15H,2,4-6,8,11-12H2,1H3/t15-/m1/s1
InChIKeyKKDPYXUXEOESOW-OAHLLOKOSA-N
MW313.40 g/mol
LogP1.70
Rot. Bonds5

About N-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide

N-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide (PubChem CID 129336564) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide
PubChem CID129336564
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(C[C@H]1CCCN1Cc1cnc2ncccn12)C1CC1
InChIInChI=1S/C17H23N5O/c1-13(23)22(14-5-6-14)12-15-4-2-8-20(15)11-16-10-19-17-18-7-3-9-21(16)17/h3,7,9-10,14-15H,2,4-6,8,11-12H2,1H3/t15-/m1/s1
InChIKeyKKDPYXUXEOESOW-OAHLLOKOSA-N
XLogP1.70
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide 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-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide (CID 129336564) is N-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide is CC(=O)N(C[C@H]1CCCN1Cc1cnc2ncccn12)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is KKDPYXUXEOESOW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13(23)22(14-5-6-14)12-15-4-2-8-20(15)11-16-10-19-17-18-7-3-9-21(16)17/h3,7,9-10,14-15H,2,4-6,8,11-12H2,1H3/t15-/m1/s1.
What are the key properties of N-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide?
N-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[(2R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 129336564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).