2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol

C19H24ClN5O3S — CID 135255045

IUPAC2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol
SMILESNc1nccc(Sc2nc(CO)c(N3CCC4(CC3)COC[C@H]4N)cc2O)c1Cl
InChIInChI=1S/C19H24ClN5O3S/c20-16-14(1-4-23-17(16)22)29-18-13(27)7-12(11(8-26)24-18)25-5-2-19(3-6-25)10-28-9-15(19)21/h1,4,7,15,26-27H,2-3,5-6,8-10,21H2,(H2,22,23)/t15-/m1/s1
InChIKeyRHUWWPTURUFMDM-OAHLLOKOSA-N
MW437.95 g/mol
LogP2.01
Rot. Bonds4

About 2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol

2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol (PubChem CID 135255045) has the molecular formula C19H24ClN5O3S and a molecular weight of 437.95 g/mol. Its IUPAC name is 2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol
PubChem CID135255045
Molecular FormulaC19H24ClN5O3S
Molecular Weight437.95 g/mol
Exact Mass437.13
IUPAC Name2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol
SMILESNc1nccc(Sc2nc(CO)c(N3CCC4(CC3)COC[C@H]4N)cc2O)c1Cl
InChIInChI=1S/C19H24ClN5O3S/c20-16-14(1-4-23-17(16)22)29-18-13(27)7-12(11(8-26)24-18)25-5-2-19(3-6-25)10-28-9-15(19)21/h1,4,7,15,26-27H,2-3,5-6,8-10,21H2,(H2,22,23)/t15-/m1/s1
InChIKeyRHUWWPTURUFMDM-OAHLLOKOSA-N
XLogP2.01
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol?
The IUPAC name of 2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol (CID 135255045) is 2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol.
What is the SMILES notation for 2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol?
The canonical SMILES for 2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol is Nc1nccc(Sc2nc(CO)c(N3CCC4(CC3)COC[C@H]4N)cc2O)c1Cl.
What is the InChIKey of 2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol?
The InChIKey is RHUWWPTURUFMDM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24ClN5O3S/c20-16-14(1-4-23-17(16)22)29-18-13(27)7-12(11(8-26)24-18)25-5-2-19(3-6-25)10-28-9-15(19)21/h1,4,7,15,26-27H,2-3,5-6,8-10,21H2,(H2,22,23)/t15-/m1/s1.
What are the key properties of 2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol?
2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol has a molecular weight of 437.95 g/mol, XLogP of 2.01, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol is sourced from PubChem (CID 135255045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).