N-[2-(4-fluoropyrazol-1-yl)pyrimidin-5-yl]-1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide

C23H22FN11OS — CID 154630507

About N-[2-(4-fluoropyrazol-1-yl)pyrimidin-5-yl]-1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide

N-[2-(4-fluoropyrazol-1-yl)pyrimidin-5-yl]-1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 154630507) has the molecular formula C23H22FN11OS and a molecular weight of 519.57 g/mol. Its IUPAC name is N-[2-(4-fluoropyrazol-1-yl)pyrimidin-5-yl]-1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-fluoropyrazol-1-yl)pyrimidin-5-yl]-1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide
• PubChem CID: 154630507
• Molecular Formula: C23H22FN11OS
• Molecular Weight: 519.57 g/mol
• Exact Mass: 519.17
• IUPAC Name: N-[2-(4-fluoropyrazol-1-yl)pyrimidin-5-yl]-1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide
• SMILES: Cc1cc(Nc2nc(N3CCC(C(=O)Nc4cnc(-n5cc(F)cn5)nc4)CC3)nc3sccc23)n[nH]1
• InChI: InChI=1S/C23H22FN11OS/c1-13-8-18(33-32-13)29-19-17-4-7-37-21(17)31-23(30-19)34-5-2-14(3-6-34)20(36)28-16-10-25-22(26-11-16)35-12-15(24)9-27-35/h4,7-12,14H,2-3,5-6H2,1H3,(H,28,36)(H2,29,30,31,32,33)
• InChIKey: QXUTVTUEABNAJH-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 142.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.57
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[2-(4-fluoropyrazol-1-yl)pyrimidin-5-yl]-1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide (CID 154630507) is N-[2-(4-fluoropyrazol-1-yl)pyrimidin-5-yl]-1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide.

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

The canonical SMILES for N-[2-(4-fluoropyrazol-1-yl)pyrimidin-5-yl]-1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide is Cc1cc(Nc2nc(N3CCC(C(=O)Nc4cnc(-n5cc(F)cn5)nc4)CC3)nc3sccc23)n[nH]1.

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

The InChIKey is QXUTVTUEABNAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN11OS/c1-13-8-18(33-32-13)29-19-17-4-7-37-21(17)31-23(30-19)34-5-2-14(3-6-34)20(36)28-16-10-25-22(26-11-16)35-12-15(24)9-27-35/h4,7-12,14H,2-3,5-6H2,1H3,(H,28,36)(H2,29,30,31,32,33).

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

N-[2-(4-fluoropyrazol-1-yl)pyrimidin-5-yl]-1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 519.57 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-fluoropyrazol-1-yl)pyrimidin-5-yl]-1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 154630507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).