N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxamide

C26H29FN8O — CID 145307276

About N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxamide

N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 145307276) has the molecular formula C26H29FN8O and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxamide
• PubChem CID: 145307276
• Molecular Formula: C26H29FN8O
• Molecular Weight: 488.57 g/mol
• Exact Mass: 488.24
• IUPAC Name: N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxamide
• SMILES: Cc1cc(Nc2cc(C)[nH]n2)nc(C2CCC(C(=O)NCc3ccc(-n4cc(F)cn4)nc3)CC2)c1
• InChI: InChI=1S/C26H29FN8O/c1-16-9-22(31-23(10-16)32-24-11-17(2)33-34-24)19-4-6-20(7-5-19)26(36)29-13-18-3-8-25(28-12-18)35-15-21(27)14-30-35/h3,8-12,14-15,19-20H,4-7,13H2,1-2H3,(H,29,36)(H2,31,32,33,34)
• InChIKey: BZEGAGKZTAVLEJ-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 113.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.57
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxamide (CID 145307276) is N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxamide.

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

The canonical SMILES for N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxamide is Cc1cc(Nc2cc(C)[nH]n2)nc(C2CCC(C(=O)NCc3ccc(-n4cc(F)cn4)nc3)CC2)c1.

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

The InChIKey is BZEGAGKZTAVLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8O/c1-16-9-22(31-23(10-16)32-24-11-17(2)33-34-24)19-4-6-20(7-5-19)26(36)29-13-18-3-8-25(28-12-18)35-15-21(27)14-30-35/h3,8-12,14-15,19-20H,4-7,13H2,1-2H3,(H,29,36)(H2,31,32,33,34).

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

N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 488.57 g/mol, XLogP of 4.48, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 145307276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).