N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C25H28N6O4 — CID 118226751

IUPACN-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCOCCn1ncc2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(N3CCC(O)CC3)cc21
InChIInChI=1S/C25H28N6O4/c1-16-11-17(3-6-26-16)25-29-21(15-35-25)24(33)28-20-12-18-14-27-31(9-10-34-2)22(18)13-23(20)30-7-4-19(32)5-8-30/h3,6,11-15,19,32H,4-5,7-10H2,1-2H3,(H,28,33)
InChIKeyWSWGYNBFYCQAJP-UHFFFAOYSA-N
MW476.54 g/mol
LogP3.25
Rot. Bonds7

About N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 118226751) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID118226751
Molecular FormulaC25H28N6O4
Molecular Weight476.54 g/mol
Exact Mass476.22
IUPAC NameN-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCOCCn1ncc2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(N3CCC(O)CC3)cc21
InChIInChI=1S/C25H28N6O4/c1-16-11-17(3-6-26-16)25-29-21(15-35-25)24(33)28-20-12-18-14-27-31(9-10-34-2)22(18)13-23(20)30-7-4-19(32)5-8-30/h3,6,11-15,19,32H,4-5,7-10H2,1-2H3,(H,28,33)
InChIKeyWSWGYNBFYCQAJP-UHFFFAOYSA-N
XLogP3.25
TPSA118.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 162329642
N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226651
N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118608558
N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226580
N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 118608508
N-[6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-1-methylpyrazolo[3,4-b]pyridin-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 142742655
2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide
CID 118226401
N-[4-amino-5-(methyliminomethyl)-2-pyrrolidin-1-ylphenyl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 138457202
N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 138457212
2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide
CID 118608527
2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide
CID 118608421
N-[6-(cyclohexylamino)-2-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 144883766

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 118226751) is N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is COCCn1ncc2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(N3CCC(O)CC3)cc21.
What is the InChIKey of N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is WSWGYNBFYCQAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-16-11-17(3-6-26-16)25-29-21(15-35-25)24(33)28-20-12-18-14-27-31(9-10-34-2)22(18)13-23(20)30-7-4-19(32)5-8-30/h3,6,11-15,19,32H,4-5,7-10H2,1-2H3,(H,28,33).
What are the key properties of N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118226751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).