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

C30H38N6O3 — CID 134325371

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

N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134325371) has the molecular formula C30H38N6O3 and a molecular weight of 530.67 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
• PubChem CID: 134325371
• Molecular Formula: C30H38N6O3
• Molecular Weight: 530.67 g/mol
• Exact Mass: 530.30
• IUPAC Name: N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
• SMILES: COC1COCCC1N1CCC(Nc2cncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)c2)CC1
• InChI: InChI=1S/C30H38N6O3/c1-20-3-4-21(30(37)34-23-5-6-23)13-27(20)22-15-32-36(18-22)26-14-25(16-31-17-26)33-24-7-10-35(11-8-24)28-9-12-39-19-29(28)38-2/h3-4,13-18,23-24,28-29,33H,5-12,19H2,1-2H3,(H,34,37)
• InChIKey: GASXLKNCNCHERH-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 93.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.67
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide (CID 134325371) is N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide.

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

The canonical SMILES for N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide is COC1COCCC1N1CCC(Nc2cncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)c2)CC1.

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

The InChIKey is GASXLKNCNCHERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O3/c1-20-3-4-21(30(37)34-23-5-6-23)13-27(20)22-15-32-36(18-22)26-14-25(16-31-17-26)33-24-7-10-35(11-8-24)28-9-12-39-19-29(28)38-2/h3-4,13-18,23-24,28-29,33H,5-12,19H2,1-2H3,(H,34,37).

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

N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 530.67 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-[1-[5-[[1-(3-methoxyoxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134325371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).