N-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide

C19H22N4O3 — CID 170238711

IUPACN-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc3cnn(CCO)c3cc2C(C)(C)O)n1
InChIInChI=1S/C19H22N4O3/c1-12-5-4-6-15(21-12)18(25)22-16-9-13-11-20-23(7-8-24)17(13)10-14(16)19(2,3)26/h4-6,9-11,24,26H,7-8H2,1-3H3,(H,22,25)
InChIKeyVRPQCSYCLMBVEC-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.21
Rot. Bonds5

About N-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide

N-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 170238711) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
PubChem CID170238711
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc3cnn(CCO)c3cc2C(C)(C)O)n1
InChIInChI=1S/C19H22N4O3/c1-12-5-4-6-15(21-12)18(25)22-16-9-13-11-20-23(7-8-24)17(13)10-14(16)19(2,3)26/h4-6,9-11,24,26H,7-8H2,1-3H3,(H,22,25)
InChIKeyVRPQCSYCLMBVEC-UHFFFAOYSA-N
XLogP2.21
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide (CID 170238711) is N-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cc3cnn(CCO)c3cc2C(C)(C)O)n1.
What is the InChIKey of N-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is VRPQCSYCLMBVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-5-4-6-15(21-12)18(25)22-16-9-13-11-20-23(7-8-24)17(13)10-14(16)19(2,3)26/h4-6,9-11,24,26H,7-8H2,1-3H3,(H,22,25).
What are the key properties of N-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide?
N-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 170238711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).