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

C24H27FN10O — CID 146399504

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

(3S)-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carboxamide (PubChem CID 146399504) has the molecular formula C24H27FN10O and a molecular weight of 490.55 g/mol. Its IUPAC name is (3S)-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carboxamide
• PubChem CID: 146399504
• Molecular Formula: C24H27FN10O
• Molecular Weight: 490.55 g/mol
• Exact Mass: 490.24
• IUPAC Name: (3S)-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carboxamide
• SMILES: Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC[C@H](C(=O)NCc3ccc(-n4cc(F)cn4)nc3)C2)n1
• InChI: InChI=1S/C24H27FN10O/c1-15-8-20(30-21-9-16(2)32-33-21)31-24(29-15)34-7-3-4-18(13-34)23(36)27-11-17-5-6-22(26-10-17)35-14-19(25)12-28-35/h5-6,8-10,12,14,18H,3-4,7,11,13H2,1-2H3,(H,27,36)(H2,29,30,31,32,33)/t18-/m0/s1
• InChIKey: XZJKAQYGLKAZHS-SFHVURJKSA-N
• XLogP: 2.81
• TPSA: 129.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.55
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (3S)-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carboxamide (CID 146399504) is (3S)-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carboxamide.

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

The canonical SMILES for (3S)-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carboxamide is Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC[C@H](C(=O)NCc3ccc(-n4cc(F)cn4)nc3)C2)n1.

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

The InChIKey is XZJKAQYGLKAZHS-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27FN10O/c1-15-8-20(30-21-9-16(2)32-33-21)31-24(29-15)34-7-3-4-18(13-34)23(36)27-11-17-5-6-22(26-10-17)35-14-19(25)12-28-35/h5-6,8-10,12,14,18H,3-4,7,11,13H2,1-2H3,(H,27,36)(H2,29,30,31,32,33)/t18-/m0/s1.

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

(3S)-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carboxamide has a molecular weight of 490.55 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 146399504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).