N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide

C₂₇H₃₂N₆O₂ — CID 134325322

About N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134325322) has the molecular formula C₂₇H₃₂N₆O₂ and a molecular weight of 472.59 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
• PubChem CID: 134325322
• Molecular Formula: C₂₇H₃₂N₆O₂
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.26
• IUPAC Name: N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
• SMILES: Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4COC4)CC3)c2)c1
• InChI: InChI=1S/C27H32N6O2/c1-18-2-3-19(27(34)31-21-4-5-21)10-26(18)20-12-29-33(15-20)24-11-23(13-28-14-24)30-22-6-8-32(9-7-22)25-16-35-17-25/h2-3,10-15,21-22,25,30H,4-9,16-17H2,1H3,(H,31,34)
• InChIKey: DUJQLTGBCIXIMJ-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 84.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?

The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134325322) is N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.

What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?

The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4COC4)CC3)c2)c1.

What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?

The InChIKey is DUJQLTGBCIXIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-18-2-3-19(27(34)31-21-4-5-21)10-26(18)20-12-29-33(15-20)24-11-23(13-28-14-24)30-22-6-8-32(9-7-22)25-16-35-17-25/h2-3,10-15,21-22,25,30H,4-9,16-17H2,1H3,(H,31,34).

What are the key properties of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?

N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 472.59 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134325322 — identifiers, structure, computed properties (public domain)

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