[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol

C19H24ClFN6OS — CID 162492921

IUPAC[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
SMILESNc1nccc(Sc2cnc(N3CCC4(CC3)CC(F)C[C@H]4N)c(CO)n2)c1Cl
InChIInChI=1S/C19H24ClFN6OS/c20-16-13(1-4-24-17(16)23)29-15-9-25-18(12(10-28)26-15)27-5-2-19(3-6-27)8-11(21)7-14(19)22/h1,4,9,11,14,28H,2-3,5-8,10,22H2,(H2,23,24)/t11?,14-/m1/s1
InChIKeyGIKJZSVDZKSNFV-SBXXRYSUSA-N
MW438.96 g/mol
LogP2.80
Rot. Bonds4

About [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol

[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol (PubChem CID 162492921) has the molecular formula C19H24ClFN6OS and a molecular weight of 438.96 g/mol. Its IUPAC name is [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
PubChem CID162492921
Molecular FormulaC19H24ClFN6OS
Molecular Weight438.96 g/mol
Exact Mass438.14
IUPAC Name[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
SMILESNc1nccc(Sc2cnc(N3CCC4(CC3)CC(F)C[C@H]4N)c(CO)n2)c1Cl
InChIInChI=1S/C19H24ClFN6OS/c20-16-13(1-4-24-17(16)23)29-15-9-25-18(12(10-28)26-15)27-5-2-19(3-6-27)8-11(21)7-14(19)22/h1,4,9,11,14,28H,2-3,5-8,10,22H2,(H2,23,24)/t11?,14-/m1/s1
InChIKeyGIKJZSVDZKSNFV-SBXXRYSUSA-N
XLogP2.80
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol?
The IUPAC name of [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol (CID 162492921) is [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol is Nc1nccc(Sc2cnc(N3CCC4(CC3)CC(F)C[C@H]4N)c(CO)n2)c1Cl.
What is the InChIKey of [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol?
The InChIKey is GIKJZSVDZKSNFV-SBXXRYSUSA-N. The full InChI is InChI=1S/C19H24ClFN6OS/c20-16-13(1-4-24-17(16)23)29-15-9-25-18(12(10-28)26-15)27-5-2-19(3-6-27)8-11(21)7-14(19)22/h1,4,9,11,14,28H,2-3,5-8,10,22H2,(H2,23,24)/t11?,14-/m1/s1.
What are the key properties of [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol?
[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol has a molecular weight of 438.96 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol is sourced from PubChem (CID 162492921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).