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

C27H30FN7O — CID 176966927

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

N-ethyl-4-[[6-[1-(fluoromethyl)cyclopropyl]-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide (PubChem CID 176966927) has the molecular formula C27H30FN7O and a molecular weight of 487.58 g/mol. Its IUPAC name is N-ethyl-4-[[6-[1-(fluoromethyl)cyclopropyl]-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-4-[[6-[1-(fluoromethyl)cyclopropyl]-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide
• PubChem CID: 176966927
• Molecular Formula: C27H30FN7O
• Molecular Weight: 487.58 g/mol
• Exact Mass: 487.25
• IUPAC Name: N-ethyl-4-[[6-[1-(fluoromethyl)cyclopropyl]-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide
• SMILES: CCNC(=O)c1cnc(Nc2ccc3c(c2)CNCC32CC2)nc1Nc1cccc(C2(CF)CC2)n1
• InChI: InChI=1S/C27H30FN7O/c1-2-30-24(36)19-14-31-25(32-18-6-7-20-17(12-18)13-29-16-27(20)10-11-27)35-23(19)34-22-5-3-4-21(33-22)26(15-28)8-9-26/h3-7,12,14,29H,2,8-11,13,15-16H2,1H3,(H,30,36)(H2,31,32,33,34,35)
• InChIKey: YIVWYZDJAYOJGB-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 103.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.58
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-ethyl-4-[[6-[1-(fluoromethyl)cyclopropyl]-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide (CID 176966927) is N-ethyl-4-[[6-[1-(fluoromethyl)cyclopropyl]-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-ethyl-4-[[6-[1-(fluoromethyl)cyclopropyl]-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide?

The canonical SMILES for N-ethyl-4-[[6-[1-(fluoromethyl)cyclopropyl]-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide is CCNC(=O)c1cnc(Nc2ccc3c(c2)CNCC32CC2)nc1Nc1cccc(C2(CF)CC2)n1.

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

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

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

N-ethyl-4-[[6-[1-(fluoromethyl)cyclopropyl]-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 4.24, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-[[6-[1-(fluoromethyl)cyclopropyl]-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 176966927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).