N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrimidine-5-carboxamide

C25H21ClF2N6O2 — CID 172605716

About N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrimidine-5-carboxamide

N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrimidine-5-carboxamide (PubChem CID 172605716) has the molecular formula C25H21ClF2N6O2 and a molecular weight of 510.93 g/mol. Its IUPAC name is N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrimidine-5-carboxamide
• PubChem CID: 172605716
• Molecular Formula: C25H21ClF2N6O2
• Molecular Weight: 510.93 g/mol
• Exact Mass: 510.14
• IUPAC Name: N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrimidine-5-carboxamide
• SMILES: Cn1cc(N(Cc2ccc3c4c(c(Cl)nc3c2)COC4)C(=O)c2cnc(C3CC3)nc2)c(C(F)F)n1
• InChI: InChI=1S/C25H21ClF2N6O2/c1-33-10-20(21(32-33)23(27)28)34(25(35)15-7-29-24(30-8-15)14-3-4-14)9-13-2-5-16-17-11-36-12-18(17)22(26)31-19(16)6-13/h2,5-8,10,14,23H,3-4,9,11-12H2,1H3
• InChIKey: FRLNINKDPUHTQU-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 86.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.93
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrimidine-5-carboxamide?

The IUPAC name of N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrimidine-5-carboxamide (CID 172605716) is N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrimidine-5-carboxamide?

The canonical SMILES for N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrimidine-5-carboxamide is Cn1cc(N(Cc2ccc3c4c(c(Cl)nc3c2)COC4)C(=O)c2cnc(C3CC3)nc2)c(C(F)F)n1.

What is the InChIKey of N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrimidine-5-carboxamide?

The InChIKey is FRLNINKDPUHTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N6O2/c1-33-10-20(21(32-33)23(27)28)34(25(35)15-7-29-24(30-8-15)14-3-4-14)9-13-2-5-16-17-11-36-12-18(17)22(26)31-19(16)6-13/h2,5-8,10,14,23H,3-4,9,11-12H2,1H3.

What are the key properties of N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrimidine-5-carboxamide?

N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrimidine-5-carboxamide has a molecular weight of 510.93 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chloro-1,3-dihydrofuro[3,4-c]quinolin-7-yl)methyl]-2-cyclopropyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 172605716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).