(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C20H21N5O3 — CID 28871963

IUPAC(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCOc1nc2c(cc1C(=O)N1CCc3[nH]nc(-c4cc(C)on4)c3C1)CCC2
InChIInChI=1S/C20H21N5O3/c1-11-8-17(24-28-11)18-14-10-25(7-6-16(14)22-23-18)20(26)13-9-12-4-3-5-15(12)21-19(13)27-2/h8-9H,3-7,10H2,1-2H3,(H,22,23)
InChIKeyAUAOGAKRJIRIDK-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.46
Rot. Bonds3

About (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 28871963) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID28871963
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCOc1nc2c(cc1C(=O)N1CCc3[nH]nc(-c4cc(C)on4)c3C1)CCC2
InChIInChI=1S/C20H21N5O3/c1-11-8-17(24-28-11)18-14-10-25(7-6-16(14)22-23-18)20(26)13-9-12-4-3-5-15(12)21-19(13)27-2/h8-9H,3-7,10H2,1-2H3,(H,22,23)
InChIKeyAUAOGAKRJIRIDK-UHFFFAOYSA-N
XLogP2.46
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 146046520
5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CID 50970381
4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70767057
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97147629
1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 31193814
[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-methoxy-4-pyridinyl)methanone
CID 31043479
(5-methyl-1,2-oxazol-3-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 146044778
[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 118760599
8a-ethyl-7-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044342
[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 72850348
[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 72923333
[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 97113772

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 28871963) is (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is COc1nc2c(cc1C(=O)N1CCc3[nH]nc(-c4cc(C)on4)c3C1)CCC2.
What is the InChIKey of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is AUAOGAKRJIRIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-11-8-17(24-28-11)18-14-10-25(7-6-16(14)22-23-18)20(26)13-9-12-4-3-5-15(12)21-19(13)27-2/h8-9H,3-7,10H2,1-2H3,(H,22,23).
What are the key properties of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 379.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 28871963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).