N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide

C27H30FN7O — CID 138553940

About N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide

N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide (PubChem CID 138553940) has the molecular formula C27H30FN7O and a molecular weight of 487.58 g/mol. Its IUPAC name is N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide
• PubChem CID: 138553940
• Molecular Formula: C27H30FN7O
• Molecular Weight: 487.58 g/mol
• Exact Mass: 487.25
• IUPAC Name: N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide
• SMILES: CC(C)(F)c1cccc(Nc2nc(Nc3ccc4c(c3)CNCC43CC3)ncc2C(=O)NC2CC2)n1
• InChI: InChI=1S/C27H30FN7O/c1-26(2,28)21-4-3-5-22(33-21)34-23-19(24(36)31-17-6-7-17)14-30-25(35-23)32-18-8-9-20-16(12-18)13-29-15-27(20)10-11-27/h3-5,8-9,12,14,17,29H,6-7,10-11,13,15H2,1-2H3,(H,31,36)(H2,30,32,33,34,35)
• InChIKey: QKZPGUSTCJFSRF-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 103.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.58
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide?

The IUPAC name of N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide (CID 138553940) is N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide.

What is the SMILES notation for N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide?

The canonical SMILES for N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide is CC(C)(F)c1cccc(Nc2nc(Nc3ccc4c(c3)CNCC43CC3)ncc2C(=O)NC2CC2)n1.

What is the InChIKey of N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide?

The InChIKey is QKZPGUSTCJFSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O/c1-26(2,28)21-4-3-5-22(33-21)34-23-19(24(36)31-17-6-7-17)14-30-25(35-23)32-18-8-9-20-16(12-18)13-29-15-27(20)10-11-27/h3-5,8-9,12,14,17,29H,6-7,10-11,13,15H2,1-2H3,(H,31,36)(H2,30,32,33,34,35).

What are the key properties of N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide?

N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 4.59, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 138553940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).