N-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide

C24H25N5O4 — CID 170506099

IUPACN-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
SMILESCc1cc(CCc2c[nH]c3ccccc23)oc(=O)c1C(=O)Nc1cnn(CCCC(N)=O)c1
InChIInChI=1S/C24H25N5O4/c1-15-11-18(9-8-16-12-26-20-6-3-2-5-19(16)20)33-24(32)22(15)23(31)28-17-13-27-29(14-17)10-4-7-21(25)30/h2-3,5-6,11-14,26H,4,7-10H2,1H3,(H2,25,30)(H,28,31)
InChIKeyYHYKVGMOKJLPLT-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.93
Rot. Bonds9

About N-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide

N-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide (PubChem CID 170506099) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
PubChem CID170506099
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC NameN-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
SMILESCc1cc(CCc2c[nH]c3ccccc23)oc(=O)c1C(=O)Nc1cnn(CCCC(N)=O)c1
InChIInChI=1S/C24H25N5O4/c1-15-11-18(9-8-16-12-26-20-6-3-2-5-19(16)20)33-24(32)22(15)23(31)28-17-13-27-29(14-17)10-4-7-21(25)30/h2-3,5-6,11-14,26H,4,7-10H2,1H3,(H2,25,30)(H,28,31)
InChIKeyYHYKVGMOKJLPLT-UHFFFAOYSA-N
XLogP2.93
TPSA136.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170507097
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170508113
N-[3-(dimethylamino)butyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170505084
6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-3-yl)methyl]pyran-3-carboxamide
CID 170509914
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510364
3-(4-ethylpiperazine-1-carbonyl)-6-[2-(1H-indol-3-yl)ethyl]-4-methylpyran-2-one
CID 169417439
acetic acid;N-[(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 171707291
3-(3-aminopiperidine-1-carbonyl)-6-[2-(1H-indol-3-yl)ethyl]-4-methylpyran-2-one
CID 170509756
4-[6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carbonyl]piperazin-2-one
CID 169416633
6-[2-(1H-indol-3-yl)ethyl]-N,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-oxopyran-3-carboxamide
CID 170503697
4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide
CID 19410910
4-(1H-indol-3-yl)butanamide
CID 588715

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?
The IUPAC name of N-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide (CID 170506099) is N-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide.
What is the SMILES notation for N-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?
The canonical SMILES for N-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide is Cc1cc(CCc2c[nH]c3ccccc23)oc(=O)c1C(=O)Nc1cnn(CCCC(N)=O)c1.
What is the InChIKey of N-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?
The InChIKey is YHYKVGMOKJLPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-15-11-18(9-8-16-12-26-20-6-3-2-5-19(16)20)33-24(32)22(15)23(31)28-17-13-27-29(14-17)10-4-7-21(25)30/h2-3,5-6,11-14,26H,4,7-10H2,1H3,(H2,25,30)(H,28,31).
What are the key properties of N-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?
N-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 2.93, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-4-oxobutyl)pyrazol-4-yl]-6-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170506099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).