(3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine

C20H23Cl2N7O — CID 167304764

IUPAC(3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine
SMILESN[C@H]1COCCN1C1CCN(c2cnc3c(cnn3-c3cccc(Cl)c3Cl)n2)CC1
InChIInChI=1S/C20H23Cl2N7O/c21-14-2-1-3-16(19(14)22)29-20-15(10-25-29)26-18(11-24-20)27-6-4-13(5-7-27)28-8-9-30-12-17(28)23/h1-3,10-11,13,17H,4-9,12,23H2/t17-/m1/s1
InChIKeyDBURFPTZEIPTEL-QGZVFWFLSA-N
MW448.36 g/mol
LogP2.71
Rot. Bonds3

About (3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine

(3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine (PubChem CID 167304764) has the molecular formula C20H23Cl2N7O and a molecular weight of 448.36 g/mol. Its IUPAC name is (3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine.

Molecular Properties

Compound Name(3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine
PubChem CID167304764
Molecular FormulaC20H23Cl2N7O
Molecular Weight448.36 g/mol
Exact Mass447.13
IUPAC Name(3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine
SMILESN[C@H]1COCCN1C1CCN(c2cnc3c(cnn3-c3cccc(Cl)c3Cl)n2)CC1
InChIInChI=1S/C20H23Cl2N7O/c21-14-2-1-3-16(19(14)22)29-20-15(10-25-29)26-18(11-24-20)27-6-4-13(5-7-27)28-8-9-30-12-17(28)23/h1-3,10-11,13,17H,4-9,12,23H2/t17-/m1/s1
InChIKeyDBURFPTZEIPTEL-QGZVFWFLSA-N
XLogP2.71
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol
CID 167304886
1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine
CID 167304888
(3S,4S)-8-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 171726042
(3S,4S)-8-[1-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]pyrazolo[3,4-b]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 171726055
5-chloro-4-[5-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[3,4-b]pyrazin-1-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 167304908
CID 174033481
CID 174033481
1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine
CID 117017057
(4S)-1'-[6-(2,3-dichlorophenyl)pyrido[2,3-b]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 171471230
(4R)-8-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 146485729
8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine
CID 118247736
2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline
CID 146046486
(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100667

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine?
The IUPAC name of (3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine (CID 167304764) is (3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine.
What is the SMILES notation for (3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine?
The canonical SMILES for (3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine is N[C@H]1COCCN1C1CCN(c2cnc3c(cnn3-c3cccc(Cl)c3Cl)n2)CC1.
What is the InChIKey of (3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine?
The InChIKey is DBURFPTZEIPTEL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23Cl2N7O/c21-14-2-1-3-16(19(14)22)29-20-15(10-25-29)26-18(11-24-20)27-6-4-13(5-7-27)28-8-9-30-12-17(28)23/h1-3,10-11,13,17H,4-9,12,23H2/t17-/m1/s1.
What are the key properties of (3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine?
(3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine has a molecular weight of 448.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine is sourced from PubChem (CID 167304764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).