5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide

C19H16F2N4O3 — CID 163626319

IUPAC5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide
SMILESO=C(N[C@H]1CCCNC1=O)c1cc2[nH]ncc2cc1Oc1ccc(F)cc1F
InChIInChI=1S/C19H16F2N4O3/c20-11-3-4-16(13(21)7-11)28-17-6-10-9-23-25-15(10)8-12(17)18(26)24-14-2-1-5-22-19(14)27/h3-4,6-9,14H,1-2,5H2,(H,22,27)(H,23,25)(H,24,26)/t14-/m0/s1
InChIKeyHSHUFWPMRCGCRF-AWEZNQCLSA-N
MW386.36 g/mol
LogP2.64
Rot. Bonds4

About 5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide

5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide (PubChem CID 163626319) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is 5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide
PubChem CID163626319
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Name5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide
SMILESO=C(N[C@H]1CCCNC1=O)c1cc2[nH]ncc2cc1Oc1ccc(F)cc1F
InChIInChI=1S/C19H16F2N4O3/c20-11-3-4-16(13(21)7-11)28-17-6-10-9-23-25-15(10)8-12(17)18(26)24-14-2-1-5-22-19(14)27/h3-4,6-9,14H,1-2,5H2,(H,22,27)(H,23,25)(H,24,26)/t14-/m0/s1
InChIKeyHSHUFWPMRCGCRF-AWEZNQCLSA-N
XLogP2.64
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95223634
5-methyl-N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide
CID 62192755
2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide
CID 43704077
5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 55033252
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 62092644
2-[(4-fluorophenoxy)methyl]-6-oxo-N-(2-oxopiperidin-3-yl)-1H-pyrimidine-5-carboxamide
CID 70753750
2-[(4-fluorophenoxy)methyl]-6-oxo-N-[(3S)-2-oxopiperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 97136842
4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamothioylamino]phenoxy]-7-methoxy-N-(2-oxoazepan-3-yl)quinoline-6-carboxamide
CID 87203861
2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3S)-2-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 95202945
5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
CID 125446782
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide?
The IUPAC name of 5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide (CID 163626319) is 5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide is O=C(N[C@H]1CCCNC1=O)c1cc2[nH]ncc2cc1Oc1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide?
The InChIKey is HSHUFWPMRCGCRF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c20-11-3-4-16(13(21)7-11)28-17-6-10-9-23-25-15(10)8-12(17)18(26)24-14-2-1-5-22-19(14)27/h3-4,6-9,14H,1-2,5H2,(H,22,27)(H,23,25)(H,24,26)/t14-/m0/s1.
What are the key properties of 5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide?
5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide has a molecular weight of 386.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 163626319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).