(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C22H22ClF2N7S — CID 155385238

IUPAC(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESNc1nc(N2CCC3(CC2)Cc2ccc(F)c(F)c2[C@H]3N)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C22H22ClF2N7S/c23-16-13(3-6-29-19(16)27)33-21-20(28)31-14(10-30-21)32-7-4-22(5-8-32)9-11-1-2-12(24)17(25)15(11)18(22)26/h1-3,6,10,18H,4-5,7-9,26H2,(H2,27,29)(H2,28,31)/t18-/m1/s1
InChIKeyUYPJKGUVVYPDLT-GOSISDBHSA-N
MW489.98 g/mol
LogP3.96
Rot. Bonds3

About (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 155385238) has the molecular formula C22H22ClF2N7S and a molecular weight of 489.98 g/mol. Its IUPAC name is (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID155385238
Molecular FormulaC22H22ClF2N7S
Molecular Weight489.98 g/mol
Exact Mass489.13
IUPAC Name(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESNc1nc(N2CCC3(CC2)Cc2ccc(F)c(F)c2[C@H]3N)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C22H22ClF2N7S/c23-16-13(3-6-29-19(16)27)33-21-20(28)31-14(10-30-21)32-7-4-22(5-8-32)9-11-1-2-12(24)17(25)15(11)18(22)26/h1-3,6,10,18H,4-5,7-9,26H2,(H2,27,29)(H2,28,31)/t18-/m1/s1
InChIKeyUYPJKGUVVYPDLT-GOSISDBHSA-N
XLogP3.96
TPSA119.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Launch Full Analysis

Related Compounds

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
(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide
CID 142434126
(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
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-dimethylphosphorylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 135337862
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155385295
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-diethoxyphosphorylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155403863
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine
CID 123510946
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine
CID 142434017
7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
CID 123271805
(1S)-1'-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155385229
3-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]prop-2-ynylurea
CID 170431359

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 155385238) is (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Nc1nc(N2CCC3(CC2)Cc2ccc(F)c(F)c2[C@H]3N)cnc1Sc1ccnc(N)c1Cl.
What is the InChIKey of (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is UYPJKGUVVYPDLT-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22ClF2N7S/c23-16-13(3-6-29-19(16)27)33-21-20(28)31-14(10-30-21)32-7-4-22(5-8-32)9-11-1-2-12(24)17(25)15(11)18(22)26/h1-3,6,10,18H,4-5,7-9,26H2,(H2,27,29)(H2,28,31)/t18-/m1/s1.
What are the key properties of (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 489.98 g/mol, XLogP of 3.96, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155385238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).