N-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-2-methylindazole-5-carboxamide

C30H34FN7O4 — CID 130400646

About N-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-2-methylindazole-5-carboxamide

N-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-2-methylindazole-5-carboxamide (PubChem CID 130400646) has the molecular formula C30H34FN7O4 and a molecular weight of 575.65 g/mol. Its IUPAC name is N-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-2-methylindazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-2-methylindazole-5-carboxamide
• PubChem CID: 130400646
• Molecular Formula: C30H34FN7O4
• Molecular Weight: 575.65 g/mol
• Exact Mass: 575.27
• IUPAC Name: N-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-2-methylindazole-5-carboxamide
• SMILES: CC(C)n1c(=O)n(CC2CC2)c(=O)c2cc(NC(=O)N3CCCC(NC(=O)c4ccc5nn(C)cc5c4)C3)c(F)cc21
• InChI: InChI=1S/C30H34FN7O4/c1-17(2)38-26-13-23(31)25(12-22(26)28(40)37(30(38)42)14-18-6-7-18)33-29(41)36-10-4-5-21(16-36)32-27(39)19-8-9-24-20(11-19)15-35(3)34-24/h8-9,11-13,15,17-18,21H,4-7,10,14,16H2,1-3H3,(H,32,39)(H,33,41)
• InChIKey: OODYZPVTENXZRG-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 123.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.65
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-2-methylindazole-5-carboxamide?

The IUPAC name of N-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-2-methylindazole-5-carboxamide (CID 130400646) is N-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-2-methylindazole-5-carboxamide.

What is the SMILES notation for N-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-2-methylindazole-5-carboxamide?

The canonical SMILES for N-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-2-methylindazole-5-carboxamide is CC(C)n1c(=O)n(CC2CC2)c(=O)c2cc(NC(=O)N3CCCC(NC(=O)c4ccc5nn(C)cc5c4)C3)c(F)cc21.

What is the InChIKey of N-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-2-methylindazole-5-carboxamide?

The InChIKey is OODYZPVTENXZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN7O4/c1-17(2)38-26-13-23(31)25(12-22(26)28(40)37(30(38)42)14-18-6-7-18)33-29(41)36-10-4-5-21(16-36)32-27(39)19-8-9-24-20(11-19)15-35(3)34-24/h8-9,11-13,15,17-18,21H,4-7,10,14,16H2,1-3H3,(H,32,39)(H,33,41).

What are the key properties of N-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-2-methylindazole-5-carboxamide?

N-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-2-methylindazole-5-carboxamide has a molecular weight of 575.65 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]-2-methylindazole-5-carboxamide is sourced from PubChem (CID 130400646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).