5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide

C20H22N4O3 — CID 146240883

IUPAC5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1n[nH]c2ccc(-c3cnccc3CO)cc12
InChIInChI=1S/C20H22N4O3/c25-12-15-3-6-21-11-17(15)14-1-2-18-16(9-14)19(24-23-18)20(26)22-10-13-4-7-27-8-5-13/h1-3,6,9,11,13,25H,4-5,7-8,10,12H2,(H,22,26)(H,23,24)
InChIKeyJIRLCHVAMIDNRT-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.27
Rot. Bonds5

About 5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide

5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide (PubChem CID 146240883) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
PubChem CID146240883
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1n[nH]c2ccc(-c3cnccc3CO)cc12
InChIInChI=1S/C20H22N4O3/c25-12-15-3-6-21-11-17(15)14-1-2-18-16(9-14)19(24-23-18)20(26)22-10-13-4-7-27-8-5-13/h1-3,6,9,11,13,25H,4-5,7-8,10,12H2,(H,22,26)(H,23,24)
InChIKeyJIRLCHVAMIDNRT-UHFFFAOYSA-N
XLogP2.27
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide (CID 146240883) is 5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide is O=C(NCC1CCOCC1)c1n[nH]c2ccc(-c3cnccc3CO)cc12.
What is the InChIKey of 5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide?
The InChIKey is JIRLCHVAMIDNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-12-15-3-6-21-11-17(15)14-1-2-18-16(9-14)19(24-23-18)20(26)22-10-13-4-7-27-8-5-13/h1-3,6,9,11,13,25H,4-5,7-8,10,12H2,(H,22,26)(H,23,24).
What are the key properties of 5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide?
5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 146240883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).