2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone

C20H23N7O — CID 147815467

IUPAC2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone
SMILESNc1nccnc1C(=O)Cc1cc(-c2ccn[nH]2)ccc1N1CCC(N)CC1
InChIInChI=1S/C20H23N7O/c21-15-4-9-27(10-5-15)17-2-1-13(16-3-6-25-26-16)11-14(17)12-18(28)19-20(22)24-8-7-23-19/h1-3,6-8,11,15H,4-5,9-10,12,21H2,(H2,22,24)(H,25,26)
InChIKeyHOFFDQOHRPUKGG-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.80
Rot. Bonds5

About 2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone

2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone (PubChem CID 147815467) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone
PubChem CID147815467
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone
SMILESNc1nccnc1C(=O)Cc1cc(-c2ccn[nH]2)ccc1N1CCC(N)CC1
InChIInChI=1S/C20H23N7O/c21-15-4-9-27(10-5-15)17-2-1-13(16-3-6-25-26-16)11-14(17)12-18(28)19-20(22)24-8-7-23-19/h1-3,6-8,11,15H,4-5,9-10,12,21H2,(H2,22,24)(H,25,26)
InChIKeyHOFFDQOHRPUKGG-UHFFFAOYSA-N
XLogP1.80
TPSA126.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone with MolForge

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Related Compounds

2-[2-(4-aminopiperidin-1-yl)-5-methoxyphenyl]-1-(3-aminopyrazin-2-yl)ethanone
CID 147658932
1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone
CID 159647183
1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone
CID 153252209
3-amino-N-[2-(4-aminopiperidin-1-yl)-5-methylsulfanylphenyl]pyrazine-2-carboxamide
CID 145468511
1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone
CID 162256564
1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone
CID 157469868
(3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol
CID 137417600
2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid
CID 166638943
1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline
CID 68644674
4-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 56703692
cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone
CID 10315209
cyclopropylmethyl 3-aminopyrazine-2-carboxylate
CID 63259879

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone?
The IUPAC name of 2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone (CID 147815467) is 2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone.
What is the SMILES notation for 2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone?
The canonical SMILES for 2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone is Nc1nccnc1C(=O)Cc1cc(-c2ccn[nH]2)ccc1N1CCC(N)CC1.
What is the InChIKey of 2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone?
The InChIKey is HOFFDQOHRPUKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c21-15-4-9-27(10-5-15)17-2-1-13(16-3-6-25-26-16)11-14(17)12-18(28)19-20(22)24-8-7-23-19/h1-3,6-8,11,15H,4-5,9-10,12,21H2,(H2,22,24)(H,25,26).
What are the key properties of 2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone?
2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone has a molecular weight of 377.45 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminopiperidin-1-yl)-5-(1H-pyrazol-5-yl)phenyl]-1-(3-aminopyrazin-2-yl)ethanone is sourced from PubChem (CID 147815467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).