2-amino-N-[(1S)-1-[5-(1-methylpyrazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C30H29N9O2 — CID 118033236

About 2-amino-N-[(1S)-1-[5-(1-methylpyrazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[(1S)-1-[5-(1-methylpyrazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118033236) has the molecular formula C30H29N9O2 and a molecular weight of 547.62 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-[5-(1-methylpyrazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(1S)-1-[5-(1-methylpyrazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 118033236
• Molecular Formula: C30H29N9O2
• Molecular Weight: 547.62 g/mol
• Exact Mass: 547.24
• IUPAC Name: 2-amino-N-[(1S)-1-[5-(1-methylpyrazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)c1ccn2nc(N)c(C(=O)N[C@@H](C)c3nc4cccc(-c5cnn(C)c5)c4c(=O)n3-c3ccccc3)c2n1
• InChI: InChI=1S/C30H29N9O2/c1-17(2)22-13-14-38-28(34-22)25(26(31)36-38)29(40)33-18(3)27-35-23-12-8-11-21(19-15-32-37(4)16-19)24(23)30(41)39(27)20-9-6-5-7-10-20/h5-18H,1-4H3,(H2,31,36)(H,33,40)/t18-/m0/s1
• InChIKey: UJFUDYHAAKDMBL-SFHVURJKSA-N
• XLogP: 4.03
• TPSA: 138.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.62
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-[5-(1-methylpyrazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[(1S)-1-[5-(1-methylpyrazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118033236) is 2-amino-N-[(1S)-1-[5-(1-methylpyrazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[(1S)-1-[5-(1-methylpyrazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[(1S)-1-[5-(1-methylpyrazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)c1ccn2nc(N)c(C(=O)N[C@@H](C)c3nc4cccc(-c5cnn(C)c5)c4c(=O)n3-c3ccccc3)c2n1.

What is the InChIKey of 2-amino-N-[(1S)-1-[5-(1-methylpyrazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is UJFUDYHAAKDMBL-SFHVURJKSA-N. The full InChI is InChI=1S/C30H29N9O2/c1-17(2)22-13-14-38-28(34-22)25(26(31)36-38)29(40)33-18(3)27-35-23-12-8-11-21(19-15-32-37(4)16-19)24(23)30(41)39(27)20-9-6-5-7-10-20/h5-18H,1-4H3,(H2,31,36)(H,33,40)/t18-/m0/s1.

What are the key properties of 2-amino-N-[(1S)-1-[5-(1-methylpyrazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[(1S)-1-[5-(1-methylpyrazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 547.62 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1S)-1-[5-(1-methylpyrazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118033236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).