N-cyclopropyl-4-[[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrimidine-5-carboxamide

C26H29F2N7O — CID 155709478

About N-cyclopropyl-4-[[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrimidine-5-carboxamide

N-cyclopropyl-4-[[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrimidine-5-carboxamide (PubChem CID 155709478) has the molecular formula C26H29F2N7O and a molecular weight of 493.56 g/mol. Its IUPAC name is N-cyclopropyl-4-[[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrimidine-5-carboxamide
• PubChem CID: 155709478
• Molecular Formula: C26H29F2N7O
• Molecular Weight: 493.56 g/mol
• Exact Mass: 493.24
• IUPAC Name: N-cyclopropyl-4-[[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrimidine-5-carboxamide
• SMILES: CC(C)(CF)c1cccc(Nc2nc(Nc3cc4c(cc3F)CNCC4)ncc2C(=O)NC2CC2)n1
• InChI: InChI=1S/C26H29F2N7O/c1-26(2,14-27)21-4-3-5-22(33-21)34-23-18(24(36)31-17-6-7-17)13-30-25(35-23)32-20-11-15-8-9-29-12-16(15)10-19(20)28/h3-5,10-11,13,17,29H,6-9,12,14H2,1-2H3,(H,31,36)(H2,30,32,33,34,35)
• InChIKey: JTQCOHUMGUGMHO-UHFFFAOYSA-N
• XLogP: 4.28
• 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	493.56
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrimidine-5-carboxamide?

The IUPAC name of N-cyclopropyl-4-[[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrimidine-5-carboxamide (CID 155709478) is N-cyclopropyl-4-[[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrimidine-5-carboxamide.

What is the SMILES notation for N-cyclopropyl-4-[[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrimidine-5-carboxamide?

The canonical SMILES for N-cyclopropyl-4-[[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrimidine-5-carboxamide is CC(C)(CF)c1cccc(Nc2nc(Nc3cc4c(cc3F)CNCC4)ncc2C(=O)NC2CC2)n1.

What is the InChIKey of N-cyclopropyl-4-[[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrimidine-5-carboxamide?

The InChIKey is JTQCOHUMGUGMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O/c1-26(2,14-27)21-4-3-5-22(33-21)34-23-18(24(36)31-17-6-7-17)13-30-25(35-23)32-20-11-15-8-9-29-12-16(15)10-19(20)28/h3-5,10-11,13,17,29H,6-9,12,14H2,1-2H3,(H,31,36)(H2,30,32,33,34,35).

What are the key properties of N-cyclopropyl-4-[[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrimidine-5-carboxamide?

N-cyclopropyl-4-[[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 493.56 g/mol, XLogP of 4.28, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-[(7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 155709478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).