2-amino-N-[(1R)-1-(4-oxo-3-phenyl-6-prop-1-ynylpyrido[1,2-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H21N7O2 — CID 121259526

IUPAC2-amino-N-[(1R)-1-(4-oxo-3-phenyl-6-prop-1-ynylpyrido[1,2-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC#Cc1cccc2nc([C@@H](C)NC(=O)c3c(N)nn4cccnc34)c(-c3ccccc3)c(=O)n12
InChIInChI=1S/C26H21N7O2/c1-3-9-18-12-7-13-19-30-22(20(26(35)33(18)19)17-10-5-4-6-11-17)16(2)29-25(34)21-23(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H2,27,31)(H,29,34)/t16-/m1/s1
InChIKeyJQIJUDUBBSSAPO-MRXNPFEDSA-N
MW463.50 g/mol
LogP2.85
Rot. Bonds4

About 2-amino-N-[(1R)-1-(4-oxo-3-phenyl-6-prop-1-ynylpyrido[1,2-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[(1R)-1-(4-oxo-3-phenyl-6-prop-1-ynylpyrido[1,2-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121259526) has the molecular formula C26H21N7O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(4-oxo-3-phenyl-6-prop-1-ynylpyrido[1,2-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(4-oxo-3-phenyl-6-prop-1-ynylpyrido[1,2-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID121259526
Molecular FormulaC26H21N7O2
Molecular Weight463.50 g/mol
Exact Mass463.18
IUPAC Name2-amino-N-[(1R)-1-(4-oxo-3-phenyl-6-prop-1-ynylpyrido[1,2-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC#Cc1cccc2nc([C@@H](C)NC(=O)c3c(N)nn4cccnc34)c(-c3ccccc3)c(=O)n12
InChIInChI=1S/C26H21N7O2/c1-3-9-18-12-7-13-19-30-22(20(26(35)33(18)19)17-10-5-4-6-11-17)16(2)29-25(34)21-23(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H2,27,31)(H,29,34)/t16-/m1/s1
InChIKeyJQIJUDUBBSSAPO-MRXNPFEDSA-N
XLogP2.85
TPSA119.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-3-phenylimidazo[1,2-a]pyridin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259534
2-amino-N-[(1R)-1-[5-oxo-6-phenyl-3-(2-pyridin-4-ylethynyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259071
2-amino-N-[(1R)-1-[3-[2-(1-methylpyrazol-3-yl)ethynyl]-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259053
2-amino-N-[(1S)-1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259304
2-amino-N-[(1R)-1-(5-phenyl-3-prop-1-ynylthieno[2,3-b]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259554
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-[(1S)-1-(3-phenyl-5-prop-1-ynyl-1-benzofuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259797
2-amino-N-[1-(3-anilino-4-oxo-5-prop-1-ynylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259245
3-amino-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]pyrazine-2-carboxamide
CID 121260162
2-amino-N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylthieno[2,3-d]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259310
2-amino-N-[(1S)-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-4-oxo-3-phenylchromen-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259725
7-methyl-N-[(1S)-1-[6-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl]ethyl]-1,6-naphthyridine-8-carboxamide
CID 162097520

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(4-oxo-3-phenyl-6-prop-1-ynylpyrido[1,2-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-1-(4-oxo-3-phenyl-6-prop-1-ynylpyrido[1,2-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121259526) is 2-amino-N-[(1R)-1-(4-oxo-3-phenyl-6-prop-1-ynylpyrido[1,2-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(4-oxo-3-phenyl-6-prop-1-ynylpyrido[1,2-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(4-oxo-3-phenyl-6-prop-1-ynylpyrido[1,2-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC#Cc1cccc2nc([C@@H](C)NC(=O)c3c(N)nn4cccnc34)c(-c3ccccc3)c(=O)n12.
What is the InChIKey of 2-amino-N-[(1R)-1-(4-oxo-3-phenyl-6-prop-1-ynylpyrido[1,2-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JQIJUDUBBSSAPO-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H21N7O2/c1-3-9-18-12-7-13-19-30-22(20(26(35)33(18)19)17-10-5-4-6-11-17)16(2)29-25(34)21-23(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H2,27,31)(H,29,34)/t16-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(4-oxo-3-phenyl-6-prop-1-ynylpyrido[1,2-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[(1R)-1-(4-oxo-3-phenyl-6-prop-1-ynylpyrido[1,2-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(4-oxo-3-phenyl-6-prop-1-ynylpyrido[1,2-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121259526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).