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

C27H22N10O2 — CID 121259717

IUPAC2-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
SMILESC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2ncc(C#Cc3cnn(C)c3)n2c(=O)n1-c1ccccc1
InChIInChI=1S/C27H22N10O2/c1-17(32-26(38)23-24(28)33-35-12-6-11-29-25(23)35)21-13-22-30-15-20(10-9-18-14-31-34(2)16-18)37(22)27(39)36(21)19-7-4-3-5-8-19/h3-8,11-17H,1-2H3,(H2,28,33)(H,32,38)/t17-/m0/s1
InChIKeyZJKWSJLJSMFXST-KRWDZBQOSA-N
MW518.54 g/mol
LogP1.73
Rot. Bonds4

About 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

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 (PubChem CID 121259717) has the molecular formula C27H22N10O2 and a molecular weight of 518.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID121259717
Molecular FormulaC27H22N10O2
Molecular Weight518.54 g/mol
Exact Mass518.19
IUPAC Name2-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
SMILESC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2ncc(C#Cc3cnn(C)c3)n2c(=O)n1-c1ccccc1
InChIInChI=1S/C27H22N10O2/c1-17(32-26(38)23-24(28)33-35-12-6-11-29-25(23)35)21-13-22-30-15-20(10-9-18-14-31-34(2)16-18)37(22)27(39)36(21)19-7-4-3-5-8-19/h3-8,11-17H,1-2H3,(H2,28,33)(H,32,38)/t17-/m0/s1
InChIKeyZJKWSJLJSMFXST-KRWDZBQOSA-N
XLogP1.73
TPSA142.43 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.54
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2ncc(C#Cc3cnn(C)c3)n2c(=O)n1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is ZJKWSJLJSMFXST-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H22N10O2/c1-17(32-26(38)23-24(28)33-35-12-6-11-29-25(23)35)21-13-22-30-15-20(10-9-18-14-31-34(2)16-18)37(22)27(39)36(21)19-7-4-3-5-8-19/h3-8,11-17H,1-2H3,(H2,28,33)(H,32,38)/t17-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 518.54 g/mol, XLogP of 1.73, 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-methylpyrazol-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 121259717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).