2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H20N6O — CID 121259605

IUPAC2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC#Cc1cccc2cc([C@@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c12
InChIInChI=1S/C25H20N6O/c1-3-17-9-7-10-18-15-20(31(22(17)18)19-11-5-4-6-12-19)16(2)28-25(32)21-23(26)29-30-14-8-13-27-24(21)30/h1,4-16H,2H3,(H2,26,29)(H,28,32)/t16-/m1/s1
InChIKeyFTEMGXLKVNXWOH-MRXNPFEDSA-N
MW420.48 g/mol
LogP3.73
Rot. Bonds4

About 2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121259605) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID121259605
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC Name2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC#Cc1cccc2cc([C@@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c12
InChIInChI=1S/C25H20N6O/c1-3-17-9-7-10-18-15-20(31(22(17)18)19-11-5-4-6-12-19)16(2)28-25(32)21-23(26)29-30-14-8-13-27-24(21)30/h1,4-16H,2H3,(H2,26,29)(H,28,32)/t16-/m1/s1
InChIKeyFTEMGXLKVNXWOH-MRXNPFEDSA-N
XLogP3.73
TPSA90.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

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-[(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-[(1R)-1-[8-(3,3-dimethylbut-1-ynyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118003904
2-amino-N-[(1R)-1-[8-[2-(4-methyl-3-pyridinyl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118003700
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-[(1R)-1-[1-oxo-2-phenyl-8-[2-(1H-pyrazol-5-yl)ethynyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004241
2-amino-N-[1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004339
2-amino-N-[1-(1-oxo-8-pent-1-ynyl-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171358541
2-amino-N-[1-[8-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004184
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
2-amino-N-[1-[1-oxo-8-[2-(2-oxo-1H-pyridin-4-yl)ethynyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004363
2-amino-N-[(1S)-1-[8-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118003569

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121259605) is 2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C#Cc1cccc2cc([C@@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c12.
What is the InChIKey of 2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FTEMGXLKVNXWOH-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H20N6O/c1-3-17-9-7-10-18-15-20(31(22(17)18)19-11-5-4-6-12-19)16(2)28-25(32)21-23(26)29-30-14-8-13-27-24(21)30/h1,4-16H,2H3,(H2,26,29)(H,28,32)/t16-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(7-ethynyl-1-phenylindol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121259605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).