[4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone

C25H24N4O2 — CID 71126111

IUPAC[4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc(C(=O)N2CCCC2)ccc1Nc1cncc(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C25H24N4O2/c1-31-24-14-18(25(30)29-10-4-5-11-29)8-9-22(24)27-20-12-19(15-26-16-20)23-13-17-6-2-3-7-21(17)28-23/h2-3,6-9,12-16,27-28H,4-5,10-11H2,1H3
InChIKeyUGAKYRFXSWBNKV-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.22
Rot. Bonds5

About [4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone

[4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 71126111) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is [4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID71126111
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name[4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc(C(=O)N2CCCC2)ccc1Nc1cncc(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C25H24N4O2/c1-31-24-14-18(25(30)29-10-4-5-11-29)8-9-22(24)27-20-12-19(15-26-16-20)23-13-17-6-2-3-7-21(17)28-23/h2-3,6-9,12-16,27-28H,4-5,10-11H2,1H3
InChIKeyUGAKYRFXSWBNKV-UHFFFAOYSA-N
XLogP5.22
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]methanone
CID 154558944
[5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225626
4-[5-(2-methoxyanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230814
[4-[[6-[(2,6-dimethylpyrimidin-4-yl)amino]pyrimidin-4-yl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 168859302
N-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide
CID 24760535
methyl 2-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109241271
[5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237540
N-[7-[2-methoxy-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455289
azepan-1-yl-[5-(2-phenoxyanilino)-3-pyridinyl]methanone
CID 109241297
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
[5-(2-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226338
methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72859425

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone (CID 71126111) is [4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone is COc1cc(C(=O)N2CCCC2)ccc1Nc1cncc(-c2cc3ccccc3[nH]2)c1.
What is the InChIKey of [4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is UGAKYRFXSWBNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-31-24-14-18(25(30)29-10-4-5-11-29)8-9-22(24)27-20-12-19(15-26-16-20)23-13-17-6-2-3-7-21(17)28-23/h2-3,6-9,12-16,27-28H,4-5,10-11H2,1H3.
What are the key properties of [4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone?
[4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 412.49 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71126111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).