(2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide

C18H18FN3O2 — CID 165070582

IUPAC(2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide
SMILESCc1cccc(-n2ncc3c(F)cc(NC(=O)[C@@H](C)CO)cc32)c1
InChIInChI=1S/C18H18FN3O2/c1-11-4-3-5-14(6-11)22-17-8-13(21-18(24)12(2)10-23)7-16(19)15(17)9-20-22/h3-9,12,23H,10H2,1-2H3,(H,21,24)/t12-/m0/s1
InChIKeyBAUKITLCAFBUSV-LBPRGKRZSA-N
MW327.36 g/mol
LogP3.04
Rot. Bonds4

About (2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide

(2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide (PubChem CID 165070582) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is (2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide
PubChem CID165070582
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name(2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide
SMILESCc1cccc(-n2ncc3c(F)cc(NC(=O)[C@@H](C)CO)cc32)c1
InChIInChI=1S/C18H18FN3O2/c1-11-4-3-5-14(6-11)22-17-8-13(21-18(24)12(2)10-23)7-16(19)15(17)9-20-22/h3-9,12,23H,10H2,1-2H3,(H,21,24)/t12-/m0/s1
InChIKeyBAUKITLCAFBUSV-LBPRGKRZSA-N
XLogP3.04
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 155214408
[(2S)-2-amino-3-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-oxopropyl] octanoate;sulfane;hydrochloride
CID 165092925
2,4-diamino-N-[1-(3-methylphenyl)indazol-6-yl]butanamide;dihydrochloride
CID 155214434
2-amino-N-[5-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide;hydrochloride
CID 175207719
(2S,3S)-2-amino-3-hydroxy-N-[1-(3-methylphenyl)indazol-6-yl]butanamide;sulfane;hydrochloride
CID 164969015
(2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride
CID 164800166
[(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
2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide
CID 155214405
tert-butyl N-[(2S,3S)-3-hydroxy-1-[[1-(3-methylphenyl)indazol-6-yl]amino]-1-oxobutan-2-yl]carbamate
CID 155713777
tert-butyl N-[1-[[1-(3-methylphenyl)indazol-6-yl]amino]-1,3-dioxobutan-2-yl]carbamate
CID 164980151
[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 66436584

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide?
The IUPAC name of (2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide (CID 165070582) is (2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide is Cc1cccc(-n2ncc3c(F)cc(NC(=O)[C@@H](C)CO)cc32)c1.
What is the InChIKey of (2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide?
The InChIKey is BAUKITLCAFBUSV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-11-4-3-5-14(6-11)22-17-8-13(21-18(24)12(2)10-23)7-16(19)15(17)9-20-22/h3-9,12,23H,10H2,1-2H3,(H,21,24)/t12-/m0/s1.
What are the key properties of (2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide?
(2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide has a molecular weight of 327.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide is sourced from PubChem (CID 165070582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).