N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide

C19H22N4O2 — CID 129006077

IUPACN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide
SMILESCCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cccc3cc[nH]c23)cn1
InChIInChI=1S/C19H22N4O2/c1-2-23-12-14(11-21-23)18-16(7-4-10-25-18)22-19(24)15-6-3-5-13-8-9-20-17(13)15/h3,5-6,8-9,11-12,16,18,20H,2,4,7,10H2,1H3,(H,22,24)/t16-,18+/m0/s1
InChIKeyWOXWITNVFPPTQC-FUHWJXTLSA-N
MW338.41 g/mol
LogP3.03
Rot. Bonds4

About N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide

N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide (PubChem CID 129006077) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide
PubChem CID129006077
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide
SMILESCCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cccc3cc[nH]c23)cn1
InChIInChI=1S/C19H22N4O2/c1-2-23-12-14(11-21-23)18-16(7-4-10-25-18)22-19(24)15-6-3-5-13-8-9-20-17(13)15/h3,5-6,8-9,11-12,16,18,20H,2,4,7,10H2,1H3,(H,22,24)/t16-,18+/m0/s1
InChIKeyWOXWITNVFPPTQC-FUHWJXTLSA-N
XLogP3.03
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-2-fluoro-3-methylbenzamide
CID 129006150
N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide
CID 128981450
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea
CID 166407891
N-[(1R,2R)-2-aminocyclohexyl]-1H-indole-7-carboxamide
CID 102724878
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 128970251
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea
CID 128993229
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1H-indole-7-carboxamide
CID 66212891
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide
CID 146110002
2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide
CID 129006245
2-(diethylamino)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128966088
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]oxan-3-amine
CID 129342159
5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 146135749

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide (CID 129006077) is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide is CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cccc3cc[nH]c23)cn1.
What is the InChIKey of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide?
The InChIKey is WOXWITNVFPPTQC-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-23-12-14(11-21-23)18-16(7-4-10-25-18)22-19(24)15-6-3-5-13-8-9-20-17(13)15/h3,5-6,8-9,11-12,16,18,20H,2,4,7,10H2,1H3,(H,22,24)/t16-,18+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide?
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide is sourced from PubChem (CID 129006077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).