4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine

C22H21ClN8S2 — CID 170430603

IUPAC4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
SMILESCc1csc(C2(CN)[C@@H]3CN(c4cnc5nc(Sc6ccnc(N)c6Cl)ccc5n4)C[C@@H]32)n1
InChIInChI=1S/C22H21ClN8S2/c1-11-9-32-21(28-11)22(10-24)12-7-31(8-13(12)22)16-6-27-20-14(29-16)2-3-17(30-20)33-15-4-5-26-19(25)18(15)23/h2-6,9,12-13H,7-8,10,24H2,1H3,(H2,25,26)/t12-,13+,22?
InChIKeyGRNBJMAYOCNPQN-LEBBGHJMSA-N
MW497.05 g/mol
LogP3.53
Rot. Bonds5

About 4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine

4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine (PubChem CID 170430603) has the molecular formula C22H21ClN8S2 and a molecular weight of 497.05 g/mol. Its IUPAC name is 4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine.

Molecular Properties

Compound Name4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
PubChem CID170430603
Molecular FormulaC22H21ClN8S2
Molecular Weight497.05 g/mol
Exact Mass496.10
IUPAC Name4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
SMILESCc1csc(C2(CN)[C@@H]3CN(c4cnc5nc(Sc6ccnc(N)c6Cl)ccc5n4)C[C@@H]32)n1
InChIInChI=1S/C22H21ClN8S2/c1-11-9-32-21(28-11)22(10-24)12-7-31(8-13(12)22)16-6-27-20-14(29-16)2-3-17(30-20)33-15-4-5-26-19(25)18(15)23/h2-6,9,12-13H,7-8,10,24H2,1H3,(H2,25,26)/t12-,13+,22?
InChIKeyGRNBJMAYOCNPQN-LEBBGHJMSA-N
XLogP3.53
TPSA119.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.05
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine?
The IUPAC name of 4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine (CID 170430603) is 4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine.
What is the SMILES notation for 4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine?
The canonical SMILES for 4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine is Cc1csc(C2(CN)[C@@H]3CN(c4cnc5nc(Sc6ccnc(N)c6Cl)ccc5n4)C[C@@H]32)n1.
What is the InChIKey of 4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine?
The InChIKey is GRNBJMAYOCNPQN-LEBBGHJMSA-N. The full InChI is InChI=1S/C22H21ClN8S2/c1-11-9-32-21(28-11)22(10-24)12-7-31(8-13(12)22)16-6-27-20-14(29-16)2-3-17(30-20)33-15-4-5-26-19(25)18(15)23/h2-6,9,12-13H,7-8,10,24H2,1H3,(H2,25,26)/t12-,13+,22?.
What are the key properties of 4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine?
4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine has a molecular weight of 497.05 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1S,5R)-6-(aminomethyl)-6-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine is sourced from PubChem (CID 170430603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).