(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C21H24ClN5O4S — CID 169099810

IUPAC(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESC[C@@H]1OCC2(CCN(c3ncc(S(=O)(=O)c4ccnc(N)c4Cl)c4occc34)CC2)[C@@H]1N
InChIInChI=1S/C21H24ClN5O4S/c1-12-18(23)21(11-31-12)4-7-27(8-5-21)20-13-3-9-30-17(13)15(10-26-20)32(28,29)14-2-6-25-19(24)16(14)22/h2-3,6,9-10,12,18H,4-5,7-8,11,23H2,1H3,(H2,24,25)/t12-,18+/m0/s1
InChIKeyDRFKEMYGOPCWOU-KPZWWZAWSA-N
MW477.97 g/mol
LogP2.62
Rot. Bonds3

About (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 169099810) has the molecular formula C21H24ClN5O4S and a molecular weight of 477.97 g/mol. Its IUPAC name is (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID169099810
Molecular FormulaC21H24ClN5O4S
Molecular Weight477.97 g/mol
Exact Mass477.12
IUPAC Name(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESC[C@@H]1OCC2(CCN(c3ncc(S(=O)(=O)c4ccnc(N)c4Cl)c4occc34)CC2)[C@@H]1N
InChIInChI=1S/C21H24ClN5O4S/c1-12-18(23)21(11-31-12)4-7-27(8-5-21)20-13-3-9-30-17(13)15(10-26-20)32(28,29)14-2-6-25-19(24)16(14)22/h2-3,6,9-10,12,18H,4-5,7-8,11,23H2,1H3,(H2,24,25)/t12-,18+/m0/s1
InChIKeyDRFKEMYGOPCWOU-KPZWWZAWSA-N
XLogP2.62
TPSA137.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.97
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine 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 (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 169099810) is (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is C[C@@H]1OCC2(CCN(c3ncc(S(=O)(=O)c4ccnc(N)c4Cl)c4occc34)CC2)[C@@H]1N.
What is the InChIKey of (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is DRFKEMYGOPCWOU-KPZWWZAWSA-N. The full InChI is InChI=1S/C21H24ClN5O4S/c1-12-18(23)21(11-31-12)4-7-27(8-5-21)20-13-3-9-30-17(13)15(10-26-20)32(28,29)14-2-6-25-19(24)16(14)22/h2-3,6,9-10,12,18H,4-5,7-8,11,23H2,1H3,(H2,24,25)/t12-,18+/m0/s1.
What are the key properties of (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 477.97 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfonyl]furo[3,2-c]pyridin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 169099810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).