(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

C23H21Cl2N7 — CID 171471230

IUPAC(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
SMILESN[C@@H]1c2ccnn2CC12CCN(c1cnc3nc(-c4cccc(Cl)c4Cl)ccc3n1)CC2
InChIInChI=1S/C23H21Cl2N7/c24-15-3-1-2-14(20(15)25)16-4-5-17-22(30-16)27-12-19(29-17)31-10-7-23(8-11-31)13-32-18(21(23)26)6-9-28-32/h1-6,9,12,21H,7-8,10-11,13,26H2/t21-/m1/s1
InChIKeyDZCRWAKVOZORDF-OAQYLSRUSA-N
MW466.38 g/mol
LogP4.50
Rot. Bonds2

About (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

(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 (PubChem CID 171471230) has the molecular formula C23H21Cl2N7 and a molecular weight of 466.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171471230
Molecular FormulaC23H21Cl2N7
Molecular Weight466.38 g/mol
Exact Mass465.12
IUPAC Name(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
SMILESN[C@@H]1c2ccnn2CC12CCN(c1cnc3nc(-c4cccc(Cl)c4Cl)ccc3n1)CC2
InChIInChI=1S/C23H21Cl2N7/c24-15-3-1-2-14(20(15)25)16-4-5-17-22(30-16)27-12-19(29-17)31-10-7-23(8-11-31)13-32-18(21(23)26)6-9-28-32/h1-6,9,12,21H,7-8,10-11,13,26H2/t21-/m1/s1
InChIKeyDZCRWAKVOZORDF-OAQYLSRUSA-N
XLogP4.50
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(4R)-8-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 146485729
1'-[6-amino-5-(8-chloroimidazo[1,2-a]pyridin-7-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 165393487
(4S)-1'-[3-(3-chloro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 171471279
1'-[3-[4-amino-2-chloro-3-(methyliminomethyl)phenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 165393462
(4S)-1'-[5-[(3-chloro-2-pyrazol-1-yl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 165388012
(4S)-1'-[5-(4-fluorophenyl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 171471247
(3S,4S)-8-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146485685
(3S,4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 155537362
(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
1'-[5-[[3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 174187877
(4S)-1'-[5-[5-(difluoromethyl)-2-fluorophenyl]sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 171471309
(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 156901251

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is N[C@@H]1c2ccnn2CC12CCN(c1cnc3nc(-c4cccc(Cl)c4Cl)ccc3n1)CC2.
What is the InChIKey of (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?
The InChIKey is DZCRWAKVOZORDF-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21Cl2N7/c24-15-3-1-2-14(20(15)25)16-4-5-17-22(30-16)27-12-19(29-17)31-10-7-23(8-11-31)13-32-18(21(23)26)6-9-28-32/h1-6,9,12,21H,7-8,10-11,13,26H2/t21-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 466.38 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 171471230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).