1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide

C31H35N5O — CID 140965510

IUPAC1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1-c1ccc2c(ccn2Cc2ccc([C@@H]3C[C@H]4CN[C@H](CC5CC5)[C@@H]4C3)cc2)c1
InChIInChI=1S/C31H35N5O/c1-19-12-29(31(32)37)34-36(19)26-8-9-30-23(15-26)10-11-35(30)18-21-4-6-22(7-5-21)24-14-25-17-33-28(27(25)16-24)13-20-2-3-20/h4-12,15,20,24-25,27-28,33H,2-3,13-14,16-18H2,1H3,(H2,32,37)/t24-,25+,27-,28-/m1/s1
InChIKeyXXNCVSOLNNYCQS-QEFMBMMRSA-N
MW493.66 g/mol
LogP5.16
Rot. Bonds7

About 1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide

1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide (PubChem CID 140965510) has the molecular formula C31H35N5O and a molecular weight of 493.66 g/mol. Its IUPAC name is 1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide
PubChem CID140965510
Molecular FormulaC31H35N5O
Molecular Weight493.66 g/mol
Exact Mass493.28
IUPAC Name1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1-c1ccc2c(ccn2Cc2ccc([C@@H]3C[C@H]4CN[C@H](CC5CC5)[C@@H]4C3)cc2)c1
InChIInChI=1S/C31H35N5O/c1-19-12-29(31(32)37)34-36(19)26-8-9-30-23(15-26)10-11-35(30)18-21-4-6-22(7-5-21)24-14-25-17-33-28(27(25)16-24)13-20-2-3-20/h4-12,15,20,24-25,27-28,33H,2-3,13-14,16-18H2,1H3,(H2,32,37)/t24-,25+,27-,28-/m1/s1
InChIKeyXXNCVSOLNNYCQS-QEFMBMMRSA-N
XLogP5.16
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.66
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide
CID 137442922
5-methyl-1-[1-[[4-[[(3R)-1-methylpyrrolidin-3-yl]methyl]phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide
CID 137442938
5-methyl-1-[1-[[4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide
CID 137457445
1-[1-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide
CID 137457233
1-[1-[[4-[4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide
CID 137457593
1-[1-[[4-(1H-indol-6-yl)phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide
CID 137442916
1-[1-[[4-(3-fluoro-4-hydroxyphenyl)phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide
CID 137457232
5-methyl-1-[1-[[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide
CID 137457203
1-[1-[[4-[4-(dimethylcarbamoyl)phenyl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide
CID 137443143
1-[1-[[4-[(3aS,6aR)-2-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide
CID 137442912
1-[1-[[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide
CID 137457345
5-methyl-1-[1-[[4-(3-sulfamoylphenyl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide
CID 137497546

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide (CID 140965510) is 1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(N)=O)nn1-c1ccc2c(ccn2Cc2ccc([C@@H]3C[C@H]4CN[C@H](CC5CC5)[C@@H]4C3)cc2)c1.
What is the InChIKey of 1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide?
The InChIKey is XXNCVSOLNNYCQS-QEFMBMMRSA-N. The full InChI is InChI=1S/C31H35N5O/c1-19-12-29(31(32)37)34-36(19)26-8-9-30-23(15-26)10-11-35(30)18-21-4-6-22(7-5-21)24-14-25-17-33-28(27(25)16-24)13-20-2-3-20/h4-12,15,20,24-25,27-28,33H,2-3,13-14,16-18H2,1H3,(H2,32,37)/t24-,25+,27-,28-/m1/s1.
What are the key properties of 1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide?
1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide has a molecular weight of 493.66 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-[(3R,3aR,5R,6aR)-3-(cyclopropylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 140965510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).