N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide

C26H31FN4O2 — CID 70810698

IUPACN-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESC[C@@H](CN1CCC2(CC1)C(=O)NC[C@H]2c1ccc(F)cc1)NC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C26H31FN4O2/c1-17(29-24(32)23-14-19-4-2-3-5-22(19)30-23)16-31-12-10-26(11-13-31)21(15-28-25(26)33)18-6-8-20(27)9-7-18/h2-9,17,21,23,30H,10-16H2,1H3,(H,28,33)(H,29,32)/t17-,21-,23?/m0/s1
InChIKeyLPPPBBVZVIAQMJ-AFCKPWEZSA-N
MW450.56 g/mol
LogP2.66
Rot. Bonds5

About N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide

N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 70810698) has the molecular formula C26H31FN4O2 and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID70810698
Molecular FormulaC26H31FN4O2
Molecular Weight450.56 g/mol
Exact Mass450.24
IUPAC NameN-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESC[C@@H](CN1CCC2(CC1)C(=O)NC[C@H]2c1ccc(F)cc1)NC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C26H31FN4O2/c1-17(29-24(32)23-14-19-4-2-3-5-22(19)30-23)16-31-12-10-26(11-13-31)21(15-28-25(26)33)18-6-8-20(27)9-7-18/h2-9,17,21,23,30H,10-16H2,1H3,(H,28,33)(H,29,32)/t17-,21-,23?/m0/s1
InChIKeyLPPPBBVZVIAQMJ-AFCKPWEZSA-N
XLogP2.66
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one
CID 123813920
N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]quinoline-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 159122224
(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864201
N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 77048593
(2S)-N-pent-4-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 113466545
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106349732
(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81385786
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 63926506
(2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid
CID 80563771

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide (CID 70810698) is N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide is C[C@@H](CN1CCC2(CC1)C(=O)NC[C@H]2c1ccc(F)cc1)NC(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is LPPPBBVZVIAQMJ-AFCKPWEZSA-N. The full InChI is InChI=1S/C26H31FN4O2/c1-17(29-24(32)23-14-19-4-2-3-5-22(19)30-23)16-31-12-10-26(11-13-31)21(15-28-25(26)33)18-6-8-20(27)9-7-18/h2-9,17,21,23,30H,10-16H2,1H3,(H,28,33)(H,29,32)/t17-,21-,23?/m0/s1.
What are the key properties of N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 70810698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).