1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone

C19H21N5O2 — CID 53185539

IUPAC1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
SMILESCOc1nccnc1NC1CCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H21N5O2/c1-26-18-17(20-8-9-21-18)23-13-6-10-24(11-7-13)19(25)15-12-22-16-5-3-2-4-14(15)16/h2-5,8-9,12-13,22H,6-7,10-11H2,1H3,(H,20,23)
InChIKeyMRZLQGOMBYEIIN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.68
Rot. Bonds4

About 1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone

1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone (PubChem CID 53185539) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
PubChem CID53185539
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
SMILESCOc1nccnc1NC1CCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H21N5O2/c1-26-18-17(20-8-9-21-18)23-13-6-10-24(11-7-13)19(25)15-12-22-16-5-3-2-4-14(15)16/h2-5,8-9,12-13,22H,6-7,10-11H2,1H3,(H,20,23)
InChIKeyMRZLQGOMBYEIIN-UHFFFAOYSA-N
XLogP2.68
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 53185554
N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 52898572
N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide
CID 52901087
[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone
CID 87053000
1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one
CID 53185557
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
tert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate
CID 18173857
1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91917986
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
1H-indol-3-yl-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90517017
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone (CID 53185539) is 1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone is COc1nccnc1NC1CCN(C(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
The InChIKey is MRZLQGOMBYEIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-18-17(20-8-9-21-18)23-13-6-10-24(11-7-13)19(25)15-12-22-16-5-3-2-4-14(15)16/h2-5,8-9,12-13,22H,6-7,10-11H2,1H3,(H,20,23).
What are the key properties of 1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 53185539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).