(3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C22H27ClFN7O — CID 164743701

IUPAC(3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESC[C@@H]1OCC2(CCN(c3cc(N)c(-c4ccnc(N)c4Cl)c4ncc(CF)n34)CC2)[C@@H]1N
InChIInChI=1S/C22H27ClFN7O/c1-12-19(26)22(11-32-12)3-6-30(7-4-22)16-8-15(25)17(14-2-5-28-20(27)18(14)23)21-29-10-13(9-24)31(16)21/h2,5,8,10,12,19H,3-4,6-7,9,11,25-26H2,1H3,(H2,27,28)/t12-,19+/m0/s1
InChIKeySRKJIDWMOPZIBA-HXPMCKFVSA-N
MW459.96 g/mol
LogP3.02
Rot. Bonds3

About (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

(3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 164743701) has the molecular formula C22H27ClFN7O and a molecular weight of 459.96 g/mol. Its IUPAC name is (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID164743701
Molecular FormulaC22H27ClFN7O
Molecular Weight459.96 g/mol
Exact Mass459.19
IUPAC Name(3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESC[C@@H]1OCC2(CCN(c3cc(N)c(-c4ccnc(N)c4Cl)c4ncc(CF)n34)CC2)[C@@H]1N
InChIInChI=1S/C22H27ClFN7O/c1-12-19(26)22(11-32-12)3-6-30(7-4-22)16-8-15(25)17(14-2-5-28-20(27)18(14)23)21-29-10-13(9-24)31(16)21/h2,5,8,10,12,19H,3-4,6-7,9,11,25-26H2,1H3,(H2,27,28)/t12-,19+/m0/s1
InChIKeySRKJIDWMOPZIBA-HXPMCKFVSA-N
XLogP3.02
TPSA120.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.96
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-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-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 164743701) is (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is C[C@@H]1OCC2(CCN(c3cc(N)c(-c4ccnc(N)c4Cl)c4ncc(CF)n34)CC2)[C@@H]1N.
What is the InChIKey of (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is SRKJIDWMOPZIBA-HXPMCKFVSA-N. The full InChI is InChI=1S/C22H27ClFN7O/c1-12-19(26)22(11-32-12)3-6-30(7-4-22)16-8-15(25)17(14-2-5-28-20(27)18(14)23)21-29-10-13(9-24)31(16)21/h2,5,8,10,12,19H,3-4,6-7,9,11,25-26H2,1H3,(H2,27,28)/t12-,19+/m0/s1.
What are the key properties of (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
(3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 459.96 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-8-[7-amino-8-(2-amino-3-chloro-4-pyridinyl)-3-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 164743701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).