N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C29H33N7O2 — CID 118382515

About N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382515) has the molecular formula C29H33N7O2 and a molecular weight of 511.63 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 118382515
• Molecular Formula: C29H33N7O2
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.27
• IUPAC Name: N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CN1CCC(Oc2cc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)cc34)ccn2)CC1
• InChI: InChI=1S/C29H33N7O2/c1-35-12-7-24(8-13-35)38-27-16-23(6-9-31-27)32-29(37)28-25-15-21(4-5-26(25)33-34-28)22-14-20(17-30-18-22)19-36-10-2-3-11-36/h4-6,9,14-18,24H,2-3,7-8,10-13,19H2,1H3,(H,33,34)(H,31,32,37)
• InChIKey: BGPRHNCLAZEQQZ-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 99.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118382515) is N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CN1CCC(Oc2cc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)cc34)ccn2)CC1.

What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is BGPRHNCLAZEQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2/c1-35-12-7-24(8-13-35)38-27-16-23(6-9-31-27)32-29(37)28-25-15-21(4-5-26(25)33-34-28)22-14-20(17-30-18-22)19-36-10-2-3-11-36/h4-6,9,14-18,24H,2-3,7-8,10-13,19H2,1H3,(H,33,34)(H,31,32,37).

What are the key properties of N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).