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

C22H26ClN7O2S — CID 164743718

IUPAC8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC1OCC2(CCN(c3cc(C(N)=O)c(Sc4ccnc(N)c4Cl)c4nccn34)CC2)[C@@H]1N
InChIInChI=1S/C22H26ClN7O2S/c1-12-18(24)22(11-32-12)3-7-29(8-4-22)15-10-13(20(26)31)17(21-28-6-9-30(15)21)33-14-2-5-27-19(25)16(14)23/h2,5-6,9-10,12,18H,3-4,7-8,11,24H2,1H3,(H2,25,27)(H2,26,31)/t12?,18-/m1/s1
InChIKeyVOEWOIQOCJREOW-VMHBGOFLSA-N
MW488.02 g/mol
LogP2.55
Rot. Bonds4

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

8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 164743718) has the molecular formula C22H26ClN7O2S and a molecular weight of 488.02 g/mol. Its IUPAC name is 8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID164743718
Molecular FormulaC22H26ClN7O2S
Molecular Weight488.02 g/mol
Exact Mass487.16
IUPAC Name8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC1OCC2(CCN(c3cc(C(N)=O)c(Sc4ccnc(N)c4Cl)c4nccn34)CC2)[C@@H]1N
InChIInChI=1S/C22H26ClN7O2S/c1-12-18(24)22(11-32-12)3-7-29(8-4-22)15-10-13(20(26)31)17(21-28-6-9-30(15)21)33-14-2-5-27-19(25)16(14)23/h2,5-6,9-10,12,18H,3-4,7-8,11,24H2,1H3,(H2,25,27)(H2,26,31)/t12?,18-/m1/s1
InChIKeyVOEWOIQOCJREOW-VMHBGOFLSA-N
XLogP2.55
TPSA137.79 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.02
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-7-carboxamide (CID 164743718) is 8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-7-carboxamide is CC1OCC2(CCN(c3cc(C(N)=O)c(Sc4ccnc(N)c4Cl)c4nccn34)CC2)[C@@H]1N.
What is the InChIKey of 8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is VOEWOIQOCJREOW-VMHBGOFLSA-N. The full InChI is InChI=1S/C22H26ClN7O2S/c1-12-18(24)22(11-32-12)3-7-29(8-4-22)15-10-13(20(26)31)17(21-28-6-9-30(15)21)33-14-2-5-27-19(25)16(14)23/h2,5-6,9-10,12,18H,3-4,7-8,11,24H2,1H3,(H2,25,27)(H2,26,31)/t12?,18-/m1/s1.
What are the key properties of 8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-7-carboxamide?
8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 488.02 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 164743718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).