(5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone

C25H26N6O2 — CID 110265018

IUPAC(5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]cc(C(=O)N3CCCC(c4cc(Nc5cnccn5)cc(C)n4)C3)c2c1
InChIInChI=1S/C25H26N6O2/c1-16-10-18(30-24-14-26-7-8-27-24)11-23(29-16)17-4-3-9-31(15-17)25(32)21-13-28-22-6-5-19(33-2)12-20(21)22/h5-8,10-14,17,28H,3-4,9,15H2,1-2H3,(H,27,29,30)
InChIKeyYAVJHGMRAJWVFH-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.43
Rot. Bonds5

About (5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone

(5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110265018) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is (5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID110265018
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name(5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]cc(C(=O)N3CCCC(c4cc(Nc5cnccn5)cc(C)n4)C3)c2c1
InChIInChI=1S/C25H26N6O2/c1-16-10-18(30-24-14-26-7-8-27-24)11-23(29-16)17-4-3-9-31(15-17)25(32)21-13-28-22-6-5-19(33-2)12-20(21)22/h5-8,10-14,17,28H,3-4,9,15H2,1-2H3,(H,27,29,30)
InChIKeyYAVJHGMRAJWVFH-UHFFFAOYSA-N
XLogP4.43
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 125012958
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 127246684
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 124988973
[(3R)-3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 125026598
[(3S)-3-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971390
1-[2-[2-[(3R)-3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 95834932
(5-methoxy-1H-indol-3-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110243504
1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110088942
N-[2-[(3R)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
CID 95834980
[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809539
[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971967
(2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110130260

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone (CID 110265018) is (5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone is COc1ccc2[nH]cc(C(=O)N3CCCC(c4cc(Nc5cnccn5)cc(C)n4)C3)c2c1.
What is the InChIKey of (5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is YAVJHGMRAJWVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-16-10-18(30-24-14-26-7-8-27-24)11-23(29-16)17-4-3-9-31(15-17)25(32)21-13-28-22-6-5-19(33-2)12-20(21)22/h5-8,10-14,17,28H,3-4,9,15H2,1-2H3,(H,27,29,30).
What are the key properties of (5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
(5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 442.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110265018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).