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

C23H29ClN6O2 — CID 164743522

IUPAC[8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol
SMILESCc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2c(CO)cnc2c1-c1ccnc(N)c1Cl
InChIInChI=1S/C23H29ClN6O2/c1-13-9-17(29-7-4-23(5-8-29)12-32-14(2)20(23)25)30-15(11-31)10-28-22(30)18(13)16-3-6-27-21(26)19(16)24/h3,6,9-10,14,20,31H,4-5,7-8,11-12,25H2,1-2H3,(H2,26,27)/t14-,20+/m0/s1
InChIKeyNJLNJFBTDHUSTR-VBKZILBWSA-N
MW456.98 g/mol
LogP2.77
Rot. Bonds3

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

[8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 164743522) has the molecular formula C23H29ClN6O2 and a molecular weight of 456.98 g/mol. Its IUPAC name is [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID164743522
Molecular FormulaC23H29ClN6O2
Molecular Weight456.98 g/mol
Exact Mass456.20
IUPAC Name[8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol
SMILESCc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2c(CO)cnc2c1-c1ccnc(N)c1Cl
InChIInChI=1S/C23H29ClN6O2/c1-13-9-17(29-7-4-23(5-8-29)12-32-14(2)20(23)25)30-15(11-31)10-28-22(30)18(13)16-3-6-27-21(26)19(16)24/h3,6,9-10,14,20,31H,4-5,7-8,11-12,25H2,1-2H3,(H2,26,27)/t14-,20+/m0/s1
InChIKeyNJLNJFBTDHUSTR-VBKZILBWSA-N
XLogP2.77
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.98
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

(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
5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichloro-4-pyridinyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 164743880
(3R)-8-[8-(2-amino-3-chloro-4-pyridinyl)-3-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine
CID 166735936
5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 164743572
[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-pyridinyl]methanol
CID 138544756
4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one
CID 164743566
8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164743744
5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichloro-4-pyridinyl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 164743688
8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164743638
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
(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
4-[5-(4-amino-4-methylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-8-yl]-3-chloropyridin-2-amine
CID 164743690

Frequently Asked Questions

What is the IUPAC name of [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol?
The IUPAC name of [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol (CID 164743522) is [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol.
What is the SMILES notation for [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol?
The canonical SMILES for [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol is Cc1cc(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)n2c(CO)cnc2c1-c1ccnc(N)c1Cl.
What is the InChIKey of [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is NJLNJFBTDHUSTR-VBKZILBWSA-N. The full InChI is InChI=1S/C23H29ClN6O2/c1-13-9-17(29-7-4-23(5-8-29)12-32-14(2)20(23)25)30-15(11-31)10-28-22(30)18(13)16-3-6-27-21(26)19(16)24/h3,6,9-10,14,20,31H,4-5,7-8,11-12,25H2,1-2H3,(H2,26,27)/t14-,20+/m0/s1.
What are the key properties of [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol?
[8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 456.98 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-amino-3-chloro-4-pyridinyl)-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 164743522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).