2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H19N7O2 — CID 121259720

IUPAC2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC#Cc1ccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)n12
InChIInChI=1S/C24H19N7O2/c1-3-16-10-11-18-14-19(31(24(33)30(16)18)17-8-5-4-6-9-17)15(2)27-23(32)20-21(25)28-29-13-7-12-26-22(20)29/h1,4-15H,2H3,(H2,25,28)(H,27,32)/t15-/m0/s1
InChIKeyAKJGNBFYYZBGTQ-HNNXBMFYSA-N
MW437.46 g/mol
LogP2.19
Rot. Bonds4

About 2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121259720) has the molecular formula C24H19N7O2 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID121259720
Molecular FormulaC24H19N7O2
Molecular Weight437.46 g/mol
Exact Mass437.16
IUPAC Name2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC#Cc1ccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)n12
InChIInChI=1S/C24H19N7O2/c1-3-16-10-11-18-14-19(31(24(33)30(16)18)17-8-5-4-6-9-17)15(2)27-23(32)20-21(25)28-29-13-7-12-26-22(20)29/h1,4-15H,2H3,(H2,25,28)(H,27,32)/t15-/m0/s1
InChIKeyAKJGNBFYYZBGTQ-HNNXBMFYSA-N
XLogP2.19
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[1-(5-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259305
2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259605
2-amino-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-oxo-6-phenylimidazo[1,2-c]pyrimidin-7-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259717
2-amino-N-[(1S)-1-[3-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-5-oxo-6-phenylimidazo[1,2-c]pyrimidin-7-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259697
2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123973918
2-amino-N-[1-[8-(methylamino)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123752585
2-amino-N-[1-(8-cyano-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123995074
2-amino-N-[(1R)-1-(3-ethynyl-4-oxo-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259064
2-amino-N-[(1S)-1-[8-[2-(2-methyl-3-pyridinyl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118003499
2-amino-N-[1-(5-ethynyl-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259956
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;7-ethyl-3-ethynyl-6-phenylimidazo[1,2-c]pyrimidin-5-one
CID 145057084
2-amino-N-[(1R)-1-[8-(3,3-dimethylbut-1-ynyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118003904

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121259720) is 2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C#Cc1ccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)n12.
What is the InChIKey of 2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AKJGNBFYYZBGTQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H19N7O2/c1-3-16-10-11-18-14-19(31(24(33)30(16)18)17-8-5-4-6-9-17)15(2)27-23(32)20-21(25)28-29-13-7-12-26-22(20)29/h1,4-15H,2H3,(H2,25,28)(H,27,32)/t15-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121259720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).