1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol

C25H30ClN5OS — CID 166781386

IUPAC1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol
SMILESCc1nc(N2CCC3(CC=C(C4CC4)C3)CC2)c(C2(O)CC2)nc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C25H30ClN5OS/c1-15-23(33-18-5-11-28-21(27)19(18)26)30-20(25(32)7-8-25)22(29-15)31-12-9-24(10-13-31)6-4-17(14-24)16-2-3-16/h4-5,11,16,32H,2-3,6-10,12-14H2,1H3,(H2,27,28)
InChIKeyFLSKGRIUEPLJCF-UHFFFAOYSA-N
MW484.07 g/mol
LogP5.27
Rot. Bonds5

About 1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol

1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol (PubChem CID 166781386) has the molecular formula C25H30ClN5OS and a molecular weight of 484.07 g/mol. Its IUPAC name is 1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol
PubChem CID166781386
Molecular FormulaC25H30ClN5OS
Molecular Weight484.07 g/mol
Exact Mass483.19
IUPAC Name1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol
SMILESCc1nc(N2CCC3(CC=C(C4CC4)C3)CC2)c(C2(O)CC2)nc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C25H30ClN5OS/c1-15-23(33-18-5-11-28-21(27)19(18)26)30-20(25(32)7-8-25)22(29-15)31-12-9-24(10-13-31)6-4-17(14-24)16-2-3-16/h4-5,11,16,32H,2-3,6-10,12-14H2,1H3,(H2,27,28)
InChIKeyFLSKGRIUEPLJCF-UHFFFAOYSA-N
XLogP5.27
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.07
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol?
The IUPAC name of 1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol (CID 166781386) is 1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol is Cc1nc(N2CCC3(CC=C(C4CC4)C3)CC2)c(C2(O)CC2)nc1Sc1ccnc(N)c1Cl.
What is the InChIKey of 1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol?
The InChIKey is FLSKGRIUEPLJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5OS/c1-15-23(33-18-5-11-28-21(27)19(18)26)30-20(25(32)7-8-25)22(29-15)31-12-9-24(10-13-31)6-4-17(14-24)16-2-3-16/h4-5,11,16,32H,2-3,6-10,12-14H2,1H3,(H2,27,28).
What are the key properties of 1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol?
1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol has a molecular weight of 484.07 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol is sourced from PubChem (CID 166781386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).