N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide

C23H22N4O3 — CID 146208861

IUPACN-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide
SMILESCOc1cccc(C(CCO)NC(=O)c2ccnc(-c3ccc4[nH]ncc4c3)c2)c1
InChIInChI=1S/C23H22N4O3/c1-30-19-4-2-3-15(12-19)20(8-10-28)26-23(29)17-7-9-24-22(13-17)16-5-6-21-18(11-16)14-25-27-21/h2-7,9,11-14,20,28H,8,10H2,1H3,(H,25,27)(H,26,29)
InChIKeyNALRCCNLPHTZQN-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.49
Rot. Bonds7

About N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide

N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide (PubChem CID 146208861) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide
PubChem CID146208861
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide
SMILESCOc1cccc(C(CCO)NC(=O)c2ccnc(-c3ccc4[nH]ncc4c3)c2)c1
InChIInChI=1S/C23H22N4O3/c1-30-19-4-2-3-15(12-19)20(8-10-28)26-23(29)17-7-9-24-22(13-17)16-5-6-21-18(11-16)14-25-27-21/h2-7,9,11-14,20,28H,8,10H2,1H3,(H,25,27)(H,26,29)
InChIKeyNALRCCNLPHTZQN-UHFFFAOYSA-N
XLogP3.49
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide (CID 146208861) is N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide is COc1cccc(C(CCO)NC(=O)c2ccnc(-c3ccc4[nH]ncc4c3)c2)c1.
What is the InChIKey of N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide?
The InChIKey is NALRCCNLPHTZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-30-19-4-2-3-15(12-19)20(8-10-28)26-23(29)17-7-9-24-22(13-17)16-5-6-21-18(11-16)14-25-27-21/h2-7,9,11-14,20,28H,8,10H2,1H3,(H,25,27)(H,26,29).
What are the key properties of N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide?
N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 146208861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).