(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

C22H22ClN9S — CID 165388012

IUPAC(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
SMILESN[C@@H]1c2ccnn2CC12CCN(c1cnc(Sc3ccnc(-n4cccn4)c3Cl)cn1)CC2
InChIInChI=1S/C22H22ClN9S/c23-19-16(3-7-25-21(19)31-9-1-6-28-31)33-18-13-26-17(12-27-18)30-10-4-22(5-11-30)14-32-15(20(22)24)2-8-29-32/h1-3,6-9,12-13,20H,4-5,10-11,14,24H2/t20-/m1/s1
InChIKeyVUJLHBJEBKDVNJ-HXUWFJFHSA-N
MW480.00 g/mol
LogP3.36
Rot. Bonds4

About (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

(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 (PubChem CID 165388012) has the molecular formula C22H22ClN9S and a molecular weight of 480.00 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID165388012
Molecular FormulaC22H22ClN9S
Molecular Weight480.00 g/mol
Exact Mass479.14
IUPAC Name(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
SMILESN[C@@H]1c2ccnn2CC12CCN(c1cnc(Sc3ccnc(-n4cccn4)c3Cl)cn1)CC2
InChIInChI=1S/C22H22ClN9S/c23-19-16(3-7-25-21(19)31-9-1-6-28-31)33-18-13-26-17(12-27-18)30-10-4-22(5-11-30)14-32-15(20(22)24)2-8-29-32/h1-3,6-9,12-13,20H,4-5,10-11,14,24H2/t20-/m1/s1
InChIKeyVUJLHBJEBKDVNJ-HXUWFJFHSA-N
XLogP3.36
TPSA103.57 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.00
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Related Compounds

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-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 171768833
(4S)-1'-[5-(8-chloro-3-nitroimidazo[1,2-a]pyridin-7-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 171059189
(4S)-1'-[5-(4-fluorophenyl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 171471247
(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'-[5-[(2,3-dimethyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-amine
CID 171768804
[1-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]-3-fluoroazetidin-3-yl]methanol
CID 162523201
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)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine
CID 155591704
(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 155774186
(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-ethenyl-8-azaspiro[4.5]decan-4-amine
CID 135197189
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is N[C@@H]1c2ccnn2CC12CCN(c1cnc(Sc3ccnc(-n4cccn4)c3Cl)cn1)CC2.
What is the InChIKey of (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?
The InChIKey is VUJLHBJEBKDVNJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22ClN9S/c23-19-16(3-7-25-21(19)31-9-1-6-28-31)33-18-13-26-17(12-27-18)30-10-4-22(5-11-30)14-32-15(20(22)24)2-8-29-32/h1-3,6-9,12-13,20H,4-5,10-11,14,24H2/t20-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 480.00 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 165388012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).