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

About 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

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 (PubChem CID 121259697) has the molecular formula C28H24N10O2 and a molecular weight of 532.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	121259697
Molecular Formula	C28H24N10O2
Molecular Weight	532.57 g/mol
Exact Mass	532.21
IUPAC Name	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
SMILES	Cc1c(C#Cc2cnc3cc([C@H](C)NC(=O)c4c(N)nn5cccnc45)n(-c4ccccc4)c(=O)n23)cnn1C
InChI	InChI=1S/C28H24N10O2/c1-17(33-27(39)24-25(29)34-36-13-7-12-30-26(24)36)22-14-23-31-16-21(11-10-19-15-32-35(3)18(19)2)38(23)28(40)37(22)20-8-5-4-6-9-20/h4-9,12-17H,1-3H3,(H2,29,34)(H,33,39)/t17-/m0/s1
InChIKey	SQXQLIVAONKQNC-KRWDZBQOSA-N
XLogP	2.04
TPSA	142.43 Å²
H-Bond Donors	2
H-Bond Acceptors	11
Rotatable Bonds	4
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.57
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1c(C#Cc2cnc3cc([C@H](C)NC(=O)c4c(N)nn5cccnc45)n(-c4ccccc4)c(=O)n23)cnn1C.

What is the InChIKey of 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?

The InChIKey is SQXQLIVAONKQNC-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H24N10O2/c1-17(33-27(39)24-25(29)34-36-13-7-12-30-26(24)36)22-14-23-31-16-21(11-10-19-15-32-35(3)18(19)2)38(23)28(40)37(22)20-8-5-4-6-9-20/h4-9,12-17H,1-3H3,(H2,29,34)(H,33,39)/t17-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 532.57 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 121259697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).