N-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide

C28H29N7O — CID 166054951

IUPACN-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)C1CCN(c2ccc(-n3nc(-c4cccc5nn(C)cc45)c4cccc(C)c43)cn2)C1
InChIInChI=1S/C28H29N7O/c1-18-7-5-9-23-27(22-8-6-10-25-24(22)17-32(3)30-25)31-35(28(18)23)20-11-12-26(29-15-20)34-14-13-21(16-34)33(4)19(2)36/h5-12,15,17,21H,13-14,16H2,1-4H3
InChIKeyNHSICGWOFUMXPZ-UHFFFAOYSA-N
MW479.59 g/mol
LogP4.34
Rot. Bonds4

About N-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide

N-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 166054951) has the molecular formula C28H29N7O and a molecular weight of 479.59 g/mol. Its IUPAC name is N-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID166054951
Molecular FormulaC28H29N7O
Molecular Weight479.59 g/mol
Exact Mass479.24
IUPAC NameN-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)C1CCN(c2ccc(-n3nc(-c4cccc5nn(C)cc45)c4cccc(C)c43)cn2)C1
InChIInChI=1S/C28H29N7O/c1-18-7-5-9-23-27(22-8-6-10-25-24(22)17-32(3)30-25)31-35(28(18)23)20-11-12-26(29-15-20)34-14-13-21(16-34)33(4)19(2)36/h5-12,15,17,21H,13-14,16H2,1-4H3
InChIKeyNHSICGWOFUMXPZ-UHFFFAOYSA-N
XLogP4.34
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-Dihydro-1-(5-methyl-1-phenylpyrazol4-yl carbonyl)-8-(4methylpiperazin-1-yl)pyrrolo[3,2-g]isoquinoline
CID 9955522
1-[(3R)-3-[4-amino-3-(1-methylindol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 137348469
4-[4-[8-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[3,2-g]isoquinoline-1-carbonyl]-5-ethylpyrazol-1-yl]benzonitrile
CID 44404268
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-yl)-1H-indazole
CID 46890954
N-[3-[7-[4-[(dimethylamino)methyl]-3-methylpyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-1-methylindol-5-yl]acetamide
CID 162643078
N,N-dimethyl-1-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
CID 162676302
1-[4-[[4-[[1-[(3-Fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanone
CID 22390480
N-(1-{4-[1-(3-Fluoro-benzyl)-1H-indazol-5-ylamino]-pyrrolo[2,1-f][1,2,4]triazin-5-ylmethyl}-piperidin-4-yl)-acetamide
CID 22390556
3-(cyclohexylmethyl)-5-(1H-indazol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 24985365
4-(1-methyl-1H-indol-5-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205321
1-(3-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 45486184
5-{1-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 53468661

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide (CID 166054951) is N-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide is CC(=O)N(C)C1CCN(c2ccc(-n3nc(-c4cccc5nn(C)cc45)c4cccc(C)c43)cn2)C1.
What is the InChIKey of N-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is NHSICGWOFUMXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O/c1-18-7-5-9-23-27(22-8-6-10-25-24(22)17-32(3)30-25)31-35(28(18)23)20-11-12-26(29-15-20)34-14-13-21(16-34)33(4)19(2)36/h5-12,15,17,21H,13-14,16H2,1-4H3.
What are the key properties of N-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide?
N-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 479.59 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 166054951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).