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

C25H29FN10O2 — CID 134192999

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

N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 134192999) has the molecular formula C25H29FN10O2 and a molecular weight of 520.57 g/mol. Its IUPAC name is N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
• PubChem CID: 134192999
• Molecular Formula: C25H29FN10O2
• Molecular Weight: 520.57 g/mol
• Exact Mass: 520.25
• IUPAC Name: N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
• SMILES: COC1(C(=O)NCc2ccc(-n3cc(F)cn3)nc2)CCN(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1
• InChI: InChI=1S/C25H29FN10O2/c1-16-10-20(31-21-11-17(2)33-34-21)32-24(30-16)35-8-6-25(38-3,7-9-35)23(37)28-13-18-4-5-22(27-12-18)36-15-19(26)14-29-36/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,28,37)(H2,30,31,32,33,34)
• InChIKey: ZIDWFPQTGVFMQQ-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 138.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.57
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide (CID 134192999) is N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide.

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

The canonical SMILES for N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide is COC1(C(=O)NCc2ccc(-n3cc(F)cn3)nc2)CCN(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1.

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

The InChIKey is ZIDWFPQTGVFMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN10O2/c1-16-10-20(31-21-11-17(2)33-34-21)32-24(30-16)35-8-6-25(38-3,7-9-35)23(37)28-13-18-4-5-22(27-12-18)36-15-19(26)14-29-36/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,28,37)(H2,30,31,32,33,34).

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

N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 520.57 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 134192999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).