[1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid

C18H17FN4O4 — CID 155214408

IUPAC[1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid
SMILESCc1cccc(-n2ncc3c(F)cc(NC(=O)C(CO)NC(=O)O)cc32)c1
InChIInChI=1S/C18H17FN4O4/c1-10-3-2-4-12(5-10)23-16-7-11(6-14(19)13(16)8-20-23)21-17(25)15(9-24)22-18(26)27/h2-8,15,22,24H,9H2,1H3,(H,21,25)(H,26,27)
InChIKeyYWTIIOQSERZJIK-UHFFFAOYSA-N
MW372.36 g/mol
LogP2.04
Rot. Bonds5

About [1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid

[1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid (PubChem CID 155214408) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is [1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid
PubChem CID155214408
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC Name[1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid
SMILESCc1cccc(-n2ncc3c(F)cc(NC(=O)C(CO)NC(=O)O)cc32)c1
InChIInChI=1S/C18H17FN4O4/c1-10-3-2-4-12(5-10)23-16-7-11(6-14(19)13(16)8-20-23)21-17(25)15(9-24)22-18(26)27/h2-8,15,22,24H,9H2,1H3,(H,21,25)(H,26,27)
InChIKeyYWTIIOQSERZJIK-UHFFFAOYSA-N
XLogP2.04
TPSA116.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide
CID 165070582
[(2S)-2-amino-3-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-oxopropyl] octanoate;sulfane;hydrochloride
CID 165092925
2-amino-N-[5-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide;hydrochloride
CID 175207719
2,4-diamino-N-[1-(3-methylphenyl)indazol-6-yl]butanamide;dihydrochloride
CID 155214434
(2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride
CID 164800166
2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide
CID 155214405
[(2S)-4-hydroxy-1-[[1-(3-methylphenyl)indazol-6-yl]amino]-1-oxobutan-2-yl] carbamate
CID 175194363
(3S)-3-amino-4-hydroxy-N-[1-(3-methylphenyl)indazol-6-yl]butanamide;sulfane;hydrochloride
CID 165104205
(2S,3S)-2-amino-3-hydroxy-N-[1-(3-methylphenyl)indazol-6-yl]butanamide;sulfane;hydrochloride
CID 164969015
tert-butyl N-[1-[[1-(3-methylphenyl)indazol-6-yl]amino]-1,3-dioxobutan-2-yl]carbamate
CID 164980151
tert-butyl N-[(2S,3S)-3-hydroxy-1-[[1-(3-methylphenyl)indazol-6-yl]amino]-1-oxobutan-2-yl]carbamate
CID 155713777
[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 66436584

Frequently Asked Questions

What is the IUPAC name of [1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid (CID 155214408) is [1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid is Cc1cccc(-n2ncc3c(F)cc(NC(=O)C(CO)NC(=O)O)cc32)c1.
What is the InChIKey of [1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid?
The InChIKey is YWTIIOQSERZJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-10-3-2-4-12(5-10)23-16-7-11(6-14(19)13(16)8-20-23)21-17(25)15(9-24)22-18(26)27/h2-8,15,22,24H,9H2,1H3,(H,21,25)(H,26,27).
What are the key properties of [1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid?
[1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid has a molecular weight of 372.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 155214408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).