N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C24H33N3O3 — CID 18639207

IUPACN-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)C[C@@H]1C[C@@H]([C@H](CC2CCCCC2)NC(=O)c2cc3ccncc3[nH]2)OC1=O
InChIInChI=1S/C24H33N3O3/c1-15(2)10-18-13-22(30-24(18)29)19(11-16-6-4-3-5-7-16)27-23(28)20-12-17-8-9-25-14-21(17)26-20/h8-9,12,14-16,18-19,22,26H,3-7,10-11,13H2,1-2H3,(H,27,28)/t18-,19+,22+/m1/s1
InChIKeyASARNOXDEAQZHA-DXIQSLLYSA-N
MW411.55 g/mol
LogP4.61
Rot. Bonds7

About N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 18639207) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID18639207
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)C[C@@H]1C[C@@H]([C@H](CC2CCCCC2)NC(=O)c2cc3ccncc3[nH]2)OC1=O
InChIInChI=1S/C24H33N3O3/c1-15(2)10-18-13-22(30-24(18)29)19(11-16-6-4-3-5-7-16)27-23(28)20-12-17-8-9-25-14-21(17)26-20/h8-9,12,14-16,18-19,22,26H,3-7,10-11,13H2,1-2H3,(H,27,28)/t18-,19+,22+/m1/s1
InChIKeyASARNOXDEAQZHA-DXIQSLLYSA-N
XLogP4.61
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 166287482
[(1S)-1-[(2S,4S)-4-butan-2-yl-5-oxooxolan-2-yl]-2-cyclohexylethyl]carbamic acid
CID 18642989
N-ethoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 25132327
propan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 135395771
5-bromo-N-[(2S)-3-cyclohexyl-1-(dimethylamino)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 142971336
N-[(1S)-2-cyclohexyl-1-(5-oxo-4-propan-2-yloxolan-2-yl)ethyl]-2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)acetamide
CID 57293473
(Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane
CID 142971343
N-[(2S)-1-[[(3aR,5S)-7-(benzylamino)-6-hydroxy-3-oxo-1,2,3a,4,5,6-hexahydroisoindol-5-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 163656818
N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 3618702
N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide
CID 170263586
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820
N-[(2R)-1-[[1-(8-acetyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)-4-amino-3,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 156883547

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 18639207) is N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CC(C)C[C@@H]1C[C@@H]([C@H](CC2CCCCC2)NC(=O)c2cc3ccncc3[nH]2)OC1=O.
What is the InChIKey of N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is ASARNOXDEAQZHA-DXIQSLLYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-15(2)10-18-13-22(30-24(18)29)19(11-16-6-4-3-5-7-16)27-23(28)20-12-17-8-9-25-14-21(17)26-20/h8-9,12,14-16,18-19,22,26H,3-7,10-11,13H2,1-2H3,(H,27,28)/t18-,19+,22+/m1/s1.
What are the key properties of N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 18639207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).