[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone

C19H20FN5O — CID 110113161

IUPAC[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone
SMILESNc1nccnc1CC1CCCN(C(=O)c2cc3cccc(F)c3[nH]2)C1
InChIInChI=1S/C19H20FN5O/c20-14-5-1-4-13-10-16(24-17(13)14)19(26)25-8-2-3-12(11-25)9-15-18(21)23-7-6-22-15/h1,4-7,10,12,24H,2-3,8-9,11H2,(H2,21,23)
InChIKeyNXJURJVPZFOCBH-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.77
Rot. Bonds3

About [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone

[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone (PubChem CID 110113161) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone
PubChem CID110113161
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone
SMILESNc1nccnc1CC1CCCN(C(=O)c2cc3cccc(F)c3[nH]2)C1
InChIInChI=1S/C19H20FN5O/c20-14-5-1-4-13-10-16(24-17(13)14)19(26)25-8-2-3-12(11-25)9-15-18(21)23-7-6-22-15/h1,4-7,10,12,24H,2-3,8-9,11H2,(H2,21,23)
InChIKeyNXJURJVPZFOCBH-UHFFFAOYSA-N
XLogP2.77
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585611
[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 110113168
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124988875
(7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 63117526
[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125010946
[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 125010142
1-(7-amino-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 63117509
(7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 63118076
[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 110113145
(7-fluoro-1H-indol-2-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 110115830
1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 155900645
1-[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125012200

Frequently Asked Questions

What is the IUPAC name of [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone?
The IUPAC name of [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone (CID 110113161) is [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone?
The canonical SMILES for [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone is Nc1nccnc1CC1CCCN(C(=O)c2cc3cccc(F)c3[nH]2)C1.
What is the InChIKey of [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone?
The InChIKey is NXJURJVPZFOCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c20-14-5-1-4-13-10-16(24-17(13)14)19(26)25-8-2-3-12(11-25)9-15-18(21)23-7-6-22-15/h1,4-7,10,12,24H,2-3,8-9,11H2,(H2,21,23).
What are the key properties of [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone?
[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone has a molecular weight of 353.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 110113161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).