7-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide

C27H21N9O3 — CID 121258987

About 7-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide

7-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 121258987) has the molecular formula C27H21N9O3 and a molecular weight of 519.53 g/mol. Its IUPAC name is 7-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

• Compound Name: 7-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide
• PubChem CID: 121258987
• Molecular Formula: C27H21N9O3
• Molecular Weight: 519.53 g/mol
• Exact Mass: 519.18
• IUPAC Name: 7-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide
• SMILES: CC(NC(=O)c1c(N)ncn2ccnc12)c1nc2occ(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C27H21N9O3/c1-16(32-25(37)21-22(28)30-15-35-11-10-29-24(21)35)23-33-26-20(27(38)36(23)19-6-4-3-5-7-19)18(14-39-26)9-8-17-12-31-34(2)13-17/h3-7,10-16H,28H2,1-2H3,(H,32,37)
• InChIKey: NCXVSCHHOVGYSX-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 151.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.53
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide?

The IUPAC name of 7-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide (CID 121258987) is 7-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide.

What is the SMILES notation for 7-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide?

The canonical SMILES for 7-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide is CC(NC(=O)c1c(N)ncn2ccnc12)c1nc2occ(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1.

What is the InChIKey of 7-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide?

The InChIKey is NCXVSCHHOVGYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N9O3/c1-16(32-25(37)21-22(28)30-15-35-11-10-29-24(21)35)23-33-26-20(27(38)36(23)19-6-4-3-5-7-19)18(14-39-26)9-8-17-12-31-34(2)13-17/h3-7,10-16H,28H2,1-2H3,(H,32,37).

What are the key properties of 7-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide?

7-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 519.53 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 121258987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).