2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile

C22H22N6O — CID 90038583

IUPAC2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccccc1OC1CCN(c2nc3cnccc3nc2NC2CC2)CC1
InChIInChI=1S/C22H22N6O/c23-13-15-3-1-2-4-20(15)29-17-8-11-28(12-9-17)22-21(25-16-5-6-16)26-18-7-10-24-14-19(18)27-22/h1-4,7,10,14,16-17H,5-6,8-9,11-12H2,(H,25,26)
InChIKeyPKKYRJDXIGJMDD-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.52
Rot. Bonds5

About 2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile

2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile (PubChem CID 90038583) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile
PubChem CID90038583
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccccc1OC1CCN(c2nc3cnccc3nc2NC2CC2)CC1
InChIInChI=1S/C22H22N6O/c23-13-15-3-1-2-4-20(15)29-17-8-11-28(12-9-17)22-21(25-16-5-6-16)26-18-7-10-24-14-19(18)27-22/h1-4,7,10,14,16-17H,5-6,8-9,11-12H2,(H,25,26)
InChIKeyPKKYRJDXIGJMDD-UHFFFAOYSA-N
XLogP3.52
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-3-[4-(2-methoxyphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308534
N-cyclopropyl-3-[4-(3-fluorophenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308645
N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308577
N-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308584
(5-chlorothiophen-3-yl)-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone;hydrochloride
CID 127024126
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine
CID 90038113
N-cyclopropyl-3-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308589
[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(2,6-difluorophenyl)methanone;2,2,2-trifluoroacetic acid
CID 127024837
N-cyclopropyl-3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 90038935
3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile
CID 114287934
3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 172680077
3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile
CID 167763875

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile?
The IUPAC name of 2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile (CID 90038583) is 2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile?
The canonical SMILES for 2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile is N#Cc1ccccc1OC1CCN(c2nc3cnccc3nc2NC2CC2)CC1.
What is the InChIKey of 2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile?
The InChIKey is PKKYRJDXIGJMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c23-13-15-3-1-2-4-20(15)29-17-8-11-28(12-9-17)22-21(25-16-5-6-16)26-18-7-10-24-14-19(18)27-22/h1-4,7,10,14,16-17H,5-6,8-9,11-12H2,(H,25,26).
What are the key properties of 2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile?
2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile has a molecular weight of 386.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 90038583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).