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

C25H30FN11O2 — CID 134192875

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

N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 134192875) has the molecular formula C25H30FN11O2 and a molecular weight of 535.59 g/mol. Its IUPAC name is N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
• PubChem CID: 134192875
• Molecular Formula: C25H30FN11O2
• Molecular Weight: 535.59 g/mol
• Exact Mass: 535.26
• IUPAC Name: N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
• SMILES: COC1(C(=O)N[C@@H](C)c2cnc(-n3cc(F)cn3)cn2)CCN(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1
• InChI: InChI=1S/C25H30FN11O2/c1-15-9-20(32-21-10-16(2)34-35-21)33-24(30-15)36-7-5-25(39-4,6-8-36)23(38)31-17(3)19-12-28-22(13-27-19)37-14-18(26)11-29-37/h9-14,17H,5-8H2,1-4H3,(H,31,38)(H2,30,32,33,34,35)/t17-/m0/s1
• InChIKey: OXHGEQNXIPJCOQ-KRWDZBQOSA-N
• XLogP: 2.54
• TPSA: 151.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.59
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide (CID 134192875) is N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-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-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide is COC1(C(=O)N[C@@H](C)c2cnc(-n3cc(F)cn3)cn2)CCN(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1.

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

The InChIKey is OXHGEQNXIPJCOQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H30FN11O2/c1-15-9-20(32-21-10-16(2)34-35-21)33-24(30-15)36-7-5-25(39-4,6-8-36)23(38)31-17(3)19-12-28-22(13-27-19)37-14-18(26)11-29-37/h9-14,17H,5-8H2,1-4H3,(H,31,38)(H2,30,32,33,34,35)/t17-/m0/s1.

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

N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 535.59 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 134192875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).