(7R)-5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-2'-morpholin-4-ylspiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide

C24H30ClFN6O3 — CID 144845387

About (7R)-5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-2'-morpholin-4-ylspiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide

(7R)-5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-2'-morpholin-4-ylspiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide (PubChem CID 144845387) has the molecular formula C24H30ClFN6O3 and a molecular weight of 504.99 g/mol. Its IUPAC name is (7R)-5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-2'-morpholin-4-ylspiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide.

Molecular Properties

• Compound Name: (7R)-5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-2'-morpholin-4-ylspiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide
• PubChem CID: 144845387
• Molecular Formula: C24H30ClFN6O3
• Molecular Weight: 504.99 g/mol
• Exact Mass: 504.21
• IUPAC Name: (7R)-5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-2'-morpholin-4-ylspiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide
• SMILES: CC(C)(C)NC(=O)N1Cc2c(C(N)=O)c(-c3ccc(F)c(Cl)c3)nn2[C@]2(CC2N2CCOCC2)C1
• InChI: InChI=1S/C24H30ClFN6O3/c1-23(2,3)28-22(34)31-12-17-19(21(27)33)20(14-4-5-16(26)15(25)10-14)29-32(17)24(13-31)11-18(24)30-6-8-35-9-7-30/h4-5,10,18H,6-9,11-13H2,1-3H3,(H2,27,33)(H,28,34)/t18?,24-/m1/s1
• InChIKey: VUAQQFJLIXYTHI-VCUSLETLSA-N
• XLogP: 2.57
• TPSA: 105.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.99
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (7R)-5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-2'-morpholin-4-ylspiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide?

The IUPAC name of (7R)-5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-2'-morpholin-4-ylspiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide (CID 144845387) is (7R)-5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-2'-morpholin-4-ylspiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide.

What is the SMILES notation for (7R)-5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-2'-morpholin-4-ylspiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide?

The canonical SMILES for (7R)-5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-2'-morpholin-4-ylspiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide is CC(C)(C)NC(=O)N1Cc2c(C(N)=O)c(-c3ccc(F)c(Cl)c3)nn2[C@]2(CC2N2CCOCC2)C1.

What is the InChIKey of (7R)-5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-2'-morpholin-4-ylspiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide?

The InChIKey is VUAQQFJLIXYTHI-VCUSLETLSA-N. The full InChI is InChI=1S/C24H30ClFN6O3/c1-23(2,3)28-22(34)31-12-17-19(21(27)33)20(14-4-5-16(26)15(25)10-14)29-32(17)24(13-31)11-18(24)30-6-8-35-9-7-30/h4-5,10,18H,6-9,11-13H2,1-3H3,(H2,27,33)(H,28,34)/t18?,24-/m1/s1.

What are the key properties of (7R)-5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-2'-morpholin-4-ylspiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide?

(7R)-5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-2'-morpholin-4-ylspiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide has a molecular weight of 504.99 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-2'-morpholin-4-ylspiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide is sourced from PubChem (CID 144845387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).