N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide

C₂₇H₃₃FN₆O₂ — CID 134325461

About N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134325461) has the molecular formula C₂₇H₃₃FN₆O₂ and a molecular weight of 492.60 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
• PubChem CID: 134325461
• Molecular Formula: C₂₇H₃₃FN₆O₂
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.26
• IUPAC Name: N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
• SMILES: COCCN1CCC(Nc2cncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)c2)CC1
• InChI: InChI=1S/C27H33FN6O2/c1-18-11-26(28)25(27(35)32-20-3-4-20)13-24(18)19-14-30-34(17-19)23-12-22(15-29-16-23)31-21-5-7-33(8-6-21)9-10-36-2/h11-17,20-21,31H,3-10H2,1-2H3,(H,32,35)
• InChIKey: GTCIWCSHZXOKPE-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 84.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.60
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?

The IUPAC name of N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide (CID 134325461) is N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide.

What is the SMILES notation for N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?

The canonical SMILES for N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide is COCCN1CCC(Nc2cncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)c2)CC1.

What is the InChIKey of N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?

The InChIKey is GTCIWCSHZXOKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O2/c1-18-11-26(28)25(27(35)32-20-3-4-20)13-24(18)19-14-30-34(17-19)23-12-22(15-29-16-23)31-21-5-7-33(8-6-21)9-10-36-2/h11-17,20-21,31H,3-10H2,1-2H3,(H,32,35).

What are the key properties of N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?

N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 492.60 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-fluoro-5-[1-[5-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134325461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134325461 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.