2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone

C23H29N5O2 — CID 97397977

IUPAC2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCC[C@@]2(COCCN(Cc3ccn[nH]3)C2)C1
InChIInChI=1S/C23H29N5O2/c29-22(12-18-13-24-21-5-2-1-4-20(18)21)28-9-3-7-23(16-28)15-27(10-11-30-17-23)14-19-6-8-25-26-19/h1-2,4-6,8,13,24H,3,7,9-12,14-17H2,(H,25,26)/t23-/m0/s1
InChIKeyHRYNWSDBHODEJF-QHCPKHFHSA-N
MW407.52 g/mol
LogP2.57
Rot. Bonds4

About 2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone

2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone (PubChem CID 97397977) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone
PubChem CID97397977
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCC[C@@]2(COCCN(Cc3ccn[nH]3)C2)C1
InChIInChI=1S/C23H29N5O2/c29-22(12-18-13-24-21-5-2-1-4-20(18)21)28-9-3-7-23(16-28)15-27(10-11-30-17-23)14-19-6-8-25-26-19/h1-2,4-6,8,13,24H,3,7,9-12,14-17H2,(H,25,26)/t23-/m0/s1
InChIKeyHRYNWSDBHODEJF-QHCPKHFHSA-N
XLogP2.57
TPSA77.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone with MolForge

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Related Compounds

3-(1H-indol-3-yl)-1-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
CID 97122997
1H-indol-3-yl-[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 134072879
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
2-[(3-fluorophenyl)methyl]-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131647798
1-[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-(1H-indol-3-yl)ethanone
CID 134072864
1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone
CID 118745338
2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97280143
[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-2-ylmethanone
CID 118742942
2-(1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110815945
2-(1H-indol-3-yl)-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanone
CID 56789126
quinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 134074129
quinolin-2-yl-[(6S)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494512

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone (CID 97397977) is 2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@]2(COCCN(Cc3ccn[nH]3)C2)C1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone?
The InChIKey is HRYNWSDBHODEJF-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29N5O2/c29-22(12-18-13-24-21-5-2-1-4-20(18)21)28-9-3-7-23(16-28)15-27(10-11-30-17-23)14-19-6-8-25-26-19/h1-2,4-6,8,13,24H,3,7,9-12,14-17H2,(H,25,26)/t23-/m0/s1.
What are the key properties of 2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone?
2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone has a molecular weight of 407.52 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[(6S)-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone is sourced from PubChem (CID 97397977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).