N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C29H33N7O2 — CID 89444825

IUPACN-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCC(O)CC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C29H33N7O2/c37-24-8-12-36(13-9-24)27-7-5-23(18-31-27)32-29(38)28-25-15-21(4-6-26(25)33-34-28)22-14-20(16-30-17-22)19-35-10-2-1-3-11-35/h4-7,14-18,24,37H,1-3,8-13,19H2,(H,32,38)(H,33,34)
InChIKeyHYSPWTPOQIWRHX-UHFFFAOYSA-N
MW511.63 g/mol
LogP4.22
Rot. Bonds6

About N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89444825) has the molecular formula C29H33N7O2 and a molecular weight of 511.63 g/mol. Its IUPAC name is N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89444825
Molecular FormulaC29H33N7O2
Molecular Weight511.63 g/mol
Exact Mass511.27
IUPAC NameN-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCC(O)CC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C29H33N7O2/c37-24-8-12-36(13-9-24)27-7-5-23(18-31-27)32-29(38)28-25-15-21(4-6-26(25)33-34-28)22-14-20(16-30-17-22)19-35-10-2-1-3-11-35/h4-7,14-18,24,37H,1-3,8-13,19H2,(H,32,38)(H,33,34)
InChIKeyHYSPWTPOQIWRHX-UHFFFAOYSA-N
XLogP4.22
TPSA110.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89444825) is N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CCC(O)CC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.
What is the InChIKey of N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is HYSPWTPOQIWRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2/c37-24-8-12-36(13-9-24)27-7-5-23(18-31-27)32-29(38)28-25-15-21(4-6-26(25)33-34-28)22-14-20(16-30-17-22)19-35-10-2-1-3-11-35/h4-7,14-18,24,37H,1-3,8-13,19H2,(H,32,38)(H,33,34).
What are the key properties of N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89444825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).