N-[[6-[(3-cyclopropylpyrazol-1-yl)methyl]-3-pyridinyl]methyl]-5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoropyridine-2-carboxamide

C29H29FN10O — CID 142404225

About N-[[6-[(3-cyclopropylpyrazol-1-yl)methyl]-3-pyridinyl]methyl]-5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoropyridine-2-carboxamide

N-[[6-[(3-cyclopropylpyrazol-1-yl)methyl]-3-pyridinyl]methyl]-5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoropyridine-2-carboxamide (PubChem CID 142404225) has the molecular formula C29H29FN10O and a molecular weight of 552.62 g/mol. Its IUPAC name is N-[[6-[(3-cyclopropylpyrazol-1-yl)methyl]-3-pyridinyl]methyl]-5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[6-[(3-cyclopropylpyrazol-1-yl)methyl]-3-pyridinyl]methyl]-5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoropyridine-2-carboxamide
• PubChem CID: 142404225
• Molecular Formula: C29H29FN10O
• Molecular Weight: 552.62 g/mol
• Exact Mass: 552.25
• IUPAC Name: N-[[6-[(3-cyclopropylpyrazol-1-yl)methyl]-3-pyridinyl]methyl]-5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoropyridine-2-carboxamide
• SMILES: CCc1cc(Nc2cc(C)nc(-c3cnc(C(=O)NCc4ccc(Cn5ccc(C6CC6)n5)nc4)c(F)c3)n2)n[nH]1
• InChI: InChI=1S/C29H29FN10O/c1-3-21-12-26(38-37-21)35-25-10-17(2)34-28(36-25)20-11-23(30)27(32-15-20)29(41)33-14-18-4-7-22(31-13-18)16-40-9-8-24(39-40)19-5-6-19/h4,7-13,15,19H,3,5-6,14,16H2,1-2H3,(H,33,41)(H2,34,35,36,37,38)
• InChIKey: RWXPXPZUBVJNOY-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 139.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.62
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3-cyclopropylpyrazol-1-yl)methyl]-3-pyridinyl]methyl]-5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoropyridine-2-carboxamide?

The IUPAC name of N-[[6-[(3-cyclopropylpyrazol-1-yl)methyl]-3-pyridinyl]methyl]-5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoropyridine-2-carboxamide (CID 142404225) is N-[[6-[(3-cyclopropylpyrazol-1-yl)methyl]-3-pyridinyl]methyl]-5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoropyridine-2-carboxamide.

What is the SMILES notation for N-[[6-[(3-cyclopropylpyrazol-1-yl)methyl]-3-pyridinyl]methyl]-5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoropyridine-2-carboxamide?

The canonical SMILES for N-[[6-[(3-cyclopropylpyrazol-1-yl)methyl]-3-pyridinyl]methyl]-5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoropyridine-2-carboxamide is CCc1cc(Nc2cc(C)nc(-c3cnc(C(=O)NCc4ccc(Cn5ccc(C6CC6)n5)nc4)c(F)c3)n2)n[nH]1.

What is the InChIKey of N-[[6-[(3-cyclopropylpyrazol-1-yl)methyl]-3-pyridinyl]methyl]-5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoropyridine-2-carboxamide?

The InChIKey is RWXPXPZUBVJNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN10O/c1-3-21-12-26(38-37-21)35-25-10-17(2)34-28(36-25)20-11-23(30)27(32-15-20)29(41)33-14-18-4-7-22(31-13-18)16-40-9-8-24(39-40)19-5-6-19/h4,7-13,15,19H,3,5-6,14,16H2,1-2H3,(H,33,41)(H2,34,35,36,37,38).

What are the key properties of N-[[6-[(3-cyclopropylpyrazol-1-yl)methyl]-3-pyridinyl]methyl]-5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoropyridine-2-carboxamide?

N-[[6-[(3-cyclopropylpyrazol-1-yl)methyl]-3-pyridinyl]methyl]-5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoropyridine-2-carboxamide has a molecular weight of 552.62 g/mol, XLogP of 4.46, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[(3-cyclopropylpyrazol-1-yl)methyl]-3-pyridinyl]methyl]-5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 142404225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).