5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide

C25H27N5O — CID 137442922

IUPAC5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1-c1ccc2c(ccn2Cc2ccc(C3CCN(C)C3)cc2)c1
InChIInChI=1S/C25H27N5O/c1-17-13-23(25(26)31)27-30(17)22-7-8-24-20(14-22)10-12-29(24)15-18-3-5-19(6-4-18)21-9-11-28(2)16-21/h3-8,10,12-14,21H,9,11,15-16H2,1-2H3,(H2,26,31)
InChIKeyCBJYGPMTRLKCMM-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.70
Rot. Bonds5

About 5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide

5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide (PubChem CID 137442922) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide
PubChem CID137442922
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1-c1ccc2c(ccn2Cc2ccc(C3CCN(C)C3)cc2)c1
InChIInChI=1S/C25H27N5O/c1-17-13-23(25(26)31)27-30(17)22-7-8-24-20(14-22)10-12-29(24)15-18-3-5-19(6-4-18)21-9-11-28(2)16-21/h3-8,10,12-14,21H,9,11,15-16H2,1-2H3,(H2,26,31)
InChIKeyCBJYGPMTRLKCMM-UHFFFAOYSA-N
XLogP3.70
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(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
1-[1-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide
CID 137457233
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-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide
CID 137457593
5-methyl-1-[1-[[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide
CID 137457203
1-methyl-2-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazol-1-ium-4-carboxamide
CID 140965514
1-[1-[[4-[4-(dimethylcarbamoyl)phenyl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide
CID 137443143
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
1-[1-[[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]methyl]indol-5-yl]-5-methylpyrazole-3-carboxamide
CID 137457345

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide (CID 137442922) is 5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide is Cc1cc(C(N)=O)nn1-c1ccc2c(ccn2Cc2ccc(C3CCN(C)C3)cc2)c1.
What is the InChIKey of 5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide?
The InChIKey is CBJYGPMTRLKCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-17-13-23(25(26)31)27-30(17)22-7-8-24-20(14-22)10-12-29(24)15-18-3-5-19(6-4-18)21-9-11-28(2)16-21/h3-8,10,12-14,21H,9,11,15-16H2,1-2H3,(H2,26,31).
What are the key properties of 5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide?
5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide has a molecular weight of 413.53 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[1-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]indol-5-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 137442922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).