1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone

C22H22N6O — CID 10134749

IUPAC1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCCCC1CNc1cnc2ncccc2n1
InChIInChI=1S/C22H22N6O/c29-22(16-6-7-18-15(12-16)8-10-23-18)28-11-2-1-4-17(28)13-25-20-14-26-21-19(27-20)5-3-9-24-21/h3,5-10,12,14,17,23H,1-2,4,11,13H2,(H,25,27)
InChIKeyAXCVPFHOVCAYRM-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.61
Rot. Bonds4

About 1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone

1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone (PubChem CID 10134749) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone
PubChem CID10134749
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCCCC1CNc1cnc2ncccc2n1
InChIInChI=1S/C22H22N6O/c29-22(16-6-7-18-15(12-16)8-10-23-18)28-11-2-1-4-17(28)13-25-20-14-26-21-19(27-20)5-3-9-24-21/h3,5-10,12,14,17,23H,1-2,4,11,13H2,(H,25,27)
InChIKeyAXCVPFHOVCAYRM-UHFFFAOYSA-N
XLogP3.61
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 67089912
3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 10295783
[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone
CID 116635828
1-(1H-indole-5-carbonyl)piperidine-2-carboxamide
CID 63719368
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95302509
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone
CID 10296530
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone
CID 67090343
1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95343101
(5-chloro-1-methylpyrazol-3-yl)-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone
CID 167770550
2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 67090810
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95602971
1-(1H-indole-5-carbonyl)-N-methylpiperidine-2-carboxamide
CID 63716587

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone (CID 10134749) is 1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone is O=C(c1ccc2[nH]ccc2c1)N1CCCCC1CNc1cnc2ncccc2n1.
What is the InChIKey of 1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is AXCVPFHOVCAYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c29-22(16-6-7-18-15(12-16)8-10-23-18)28-11-2-1-4-17(28)13-25-20-14-26-21-19(27-20)5-3-9-24-21/h3,5-10,12,14,17,23H,1-2,4,11,13H2,(H,25,27).
What are the key properties of 1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone?
1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 386.46 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10134749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).