N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide

C15H14N6O3 — CID 6724647

IUPACN-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)Nc1ccc2cn[nH]c2c1)c1cnccn1
InChIInChI=1S/C15H14N6O3/c22-8-13(20-14(23)12-7-16-3-4-17-12)15(24)19-10-2-1-9-6-18-21-11(9)5-10/h1-7,13,22H,8H2,(H,18,21)(H,19,24)(H,20,23)/t13-/m0/s1
InChIKeyCRTCKUAEIAWQGK-ZDUSSCGKSA-N
MW326.32 g/mol
LogP0.08
Rot. Bonds5

About N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide

N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide (PubChem CID 6724647) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
PubChem CID6724647
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC NameN-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)Nc1ccc2cn[nH]c2c1)c1cnccn1
InChIInChI=1S/C15H14N6O3/c22-8-13(20-14(23)12-7-16-3-4-17-12)15(24)19-10-2-1-9-6-18-21-11(9)5-10/h1-7,13,22H,8H2,(H,18,21)(H,19,24)(H,20,23)/t13-/m0/s1
InChIKeyCRTCKUAEIAWQGK-ZDUSSCGKSA-N
XLogP0.08
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 4576762
N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide
CID 3652353
N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-9,10-dioxoanthracene-2-carboxamide
CID 4174611
N-[3-hydroxy-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]pyrazine-2-carboxamide
CID 4623413
N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 3908297
(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 80751119
N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 6724624
N-(1H-indazol-6-yl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110673734
N-pyrazin-2-yl-1H-indazole-6-carboxamide
CID 62907016
N-(1H-indol-5-yl)pyrazine-2-carboxamide
CID 110744977
(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid
CID 107822419
6-hydroxy-N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 6723424

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide (CID 6724647) is N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide is O=C(N[C@@H](CO)C(=O)Nc1ccc2cn[nH]c2c1)c1cnccn1.
What is the InChIKey of N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The InChIKey is CRTCKUAEIAWQGK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14N6O3/c22-8-13(20-14(23)12-7-16-3-4-17-12)15(24)19-10-2-1-9-6-18-21-11(9)5-10/h1-7,13,22H,8H2,(H,18,21)(H,19,24)(H,20,23)/t13-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 6724647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).