2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one

C22H26ClN5O2 — CID 158741477

IUPAC2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one
SMILESCc1nccc(C2=CCc3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)[nH]c(=O)c32)c1Cl
InChIInChI=1S/C22H26ClN5O2/c1-12-18(23)15(5-8-25-12)14-3-4-16-17(14)20(29)27-21(26-16)28-9-6-22(7-10-28)11-30-13(2)19(22)24/h3,5,8,13,19H,4,6-7,9-11,24H2,1-2H3,(H,26,27,29)/t13-,19+/m0/s1
InChIKeyGJNNBYOWONNTOU-ORAYPTAESA-N
MW427.94 g/mol
LogP2.45
Rot. Bonds2

About 2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one

2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one (PubChem CID 158741477) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one
PubChem CID158741477
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one
SMILESCc1nccc(C2=CCc3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)[nH]c(=O)c32)c1Cl
InChIInChI=1S/C22H26ClN5O2/c1-12-18(23)15(5-8-25-12)14-3-4-16-17(14)20(29)27-21(26-16)28-9-6-22(7-10-28)11-30-13(2)19(22)24/h3,5,8,13,19H,4,6-7,9-11,24H2,1-2H3,(H,26,27,29)/t13-,19+/m0/s1
InChIKeyGJNNBYOWONNTOU-ORAYPTAESA-N
XLogP2.45
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

5-(2-amino-3-chloro-4-pyridinyl)-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3,7-dihydrocyclopenta[d]pyrimidin-4-one;tert-butyl 5-bromo-2-chloro-4-[(4-methoxyphenyl)methoxy]pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-5-(3-chloro-2-methyl-4-pyridinyl)-4-[(4-methoxyphenyl)methoxy]-7H-cyclopenta[d]pyrimidine
CID 165086893
2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenoxy)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 139509584
(3S,4S)-8-[7-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 158418048
2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[3-chloro-2-(propan-2-ylamino)-4-pyridinyl]-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one
CID 159131853
2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[(3-chloro-2-ethoxy-4-pyridinyl)sulfanyl]-5H-pyrimidin-4-one
CID 146047830
6-[(3R,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichloro-6-fluorophenyl)-2-methylpyrimidin-4-one
CID 162369005
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
5-(6-amino-2,3-dichloro-4-pyridinyl)-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-benzyl-3-methylpyrrolo[2,3-d]pyrimidin-4-one;5-(6-amino-2,3-dichloro-4-pyridinyl)-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-7H-cyclopenta[d]pyrimidin-4-one
CID 165029966
(3S,4S)-8-[7-(2-chloro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 160926288
4-[1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]cyclopropyl]benzonitrile
CID 166523434
7-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-1H-pteridine-2,4-dione
CID 171473451
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[1-(4-isocyanophenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 168807602

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one (CID 158741477) is 2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one is Cc1nccc(C2=CCc3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)[nH]c(=O)c32)c1Cl.
What is the InChIKey of 2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is GJNNBYOWONNTOU-ORAYPTAESA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-12-18(23)15(5-8-25-12)14-3-4-16-17(14)20(29)27-21(26-16)28-9-6-22(7-10-28)11-30-13(2)19(22)24/h3,5,8,13,19H,4,6-7,9-11,24H2,1-2H3,(H,26,27,29)/t13-,19+/m0/s1.
What are the key properties of 2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one?
2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 427.94 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-chloro-2-methyl-4-pyridinyl)-3,7-dihydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 158741477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).