N-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide

C19H17N5O2 — CID 167982693

IUPACN-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2n[nH]c3cc(O)ccc23)c(C)n1-c1ccncc1
InChIInChI=1S/C19H17N5O2/c1-11-9-16(12(2)24(11)13-5-7-20-8-6-13)19(26)21-18-15-4-3-14(25)10-17(15)22-23-18/h3-10,25H,1-2H3,(H2,21,22,23,26)
InChIKeyBMFKSCNFCXEZOT-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.32
Rot. Bonds3

About N-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide

N-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide (PubChem CID 167982693) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide
PubChem CID167982693
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2n[nH]c3cc(O)ccc23)c(C)n1-c1ccncc1
InChIInChI=1S/C19H17N5O2/c1-11-9-16(12(2)24(11)13-5-7-20-8-6-13)19(26)21-18-15-4-3-14(25)10-17(15)22-23-18/h3-10,25H,1-2H3,(H2,21,22,23,26)
InChIKeyBMFKSCNFCXEZOT-UHFFFAOYSA-N
XLogP3.32
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide?
The IUPAC name of N-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide (CID 167982693) is N-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide?
The canonical SMILES for N-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2n[nH]c3cc(O)ccc23)c(C)n1-c1ccncc1.
What is the InChIKey of N-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide?
The InChIKey is BMFKSCNFCXEZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-11-9-16(12(2)24(11)13-5-7-20-8-6-13)19(26)21-18-15-4-3-14(25)10-17(15)22-23-18/h3-10,25H,1-2H3,(H2,21,22,23,26).
What are the key properties of N-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide?
N-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide is sourced from PubChem (CID 167982693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).