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

C21H22ClN9S — CID 165393487

IUPAC1'-[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
SMILESNc1nc(N2CCC3(CC2)Cn2nccc2C3N)cnc1Sc1ccn2ccnc2c1Cl
InChIInChI=1S/C21H22ClN9S/c22-16-14(2-7-30-10-6-25-19(16)30)32-20-18(24)28-15(11-26-20)29-8-3-21(4-9-29)12-31-13(17(21)23)1-5-27-31/h1-2,5-7,10-11,17H,3-4,8-9,12,23H2,(H2,24,28)
InChIKeyKUAMJNHCJRHQLL-UHFFFAOYSA-N
MW467.99 g/mol
LogP3.01
Rot. Bonds3

About 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

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 (PubChem CID 165393487) has the molecular formula C21H22ClN9S and a molecular weight of 467.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1'-[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
PubChem CID165393487
Molecular FormulaC21H22ClN9S
Molecular Weight467.99 g/mol
Exact Mass467.14
IUPAC Name1'-[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
SMILESNc1nc(N2CCC3(CC2)Cn2nccc2C3N)cnc1Sc1ccn2ccnc2c1Cl
InChIInChI=1S/C21H22ClN9S/c22-16-14(2-7-30-10-6-25-19(16)30)32-20-18(24)28-15(11-26-20)29-8-3-21(4-9-29)12-31-13(17(21)23)1-5-27-31/h1-2,5-7,10-11,17H,3-4,8-9,12,23H2,(H2,24,28)
InChIKeyKUAMJNHCJRHQLL-UHFFFAOYSA-N
XLogP3.01
TPSA116.18 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.99
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

(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-[(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
7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
CID 123271805
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123512951
4-amino-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol
CID 123531032
(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
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
(3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine
CID 150621154
(5S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 135337300
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 142433883
(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-1-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 118247899

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nc(N2CCC3(CC2)Cn2nccc2C3N)cnc1Sc1ccn2ccnc2c1Cl.
What is the InChIKey of 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?
The InChIKey is KUAMJNHCJRHQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN9S/c22-16-14(2-7-30-10-6-25-19(16)30)32-20-18(24)28-15(11-26-20)29-8-3-21(4-9-29)12-31-13(17(21)23)1-5-27-31/h1-2,5-7,10-11,17H,3-4,8-9,12,23H2,(H2,24,28).
What are the key properties of 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?
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 has a molecular weight of 467.99 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165393487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).