(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

C16H21N3O — CID 124978658

IUPAC(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cc2cc(C[C@H]3COC4(CCNCC4)C3)cnc2[nH]1
InChIInChI=1S/C16H21N3O/c1-4-18-15-14(1)8-12(10-19-15)7-13-9-16(20-11-13)2-5-17-6-3-16/h1,4,8,10,13,17H,2-3,5-7,9,11H2,(H,18,19)/t13-/m1/s1
InChIKeyLVPRNAGKHAPJFZ-CYBMUJFWSA-N
MW271.36 g/mol
LogP2.26
Rot. Bonds2

About (3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 124978658) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID124978658
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cc2cc(C[C@H]3COC4(CCNCC4)C3)cnc2[nH]1
InChIInChI=1S/C16H21N3O/c1-4-18-15-14(1)8-12(10-19-15)7-13-9-16(20-11-13)2-5-17-6-3-16/h1,4,8,10,13,17H,2-3,5-7,9,11H2,(H,18,19)/t13-/m1/s1
InChIKeyLVPRNAGKHAPJFZ-CYBMUJFWSA-N
XLogP2.26
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124971681
3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 73439149
(3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124640971
(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 124977238
(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 124977237
3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 110131042
6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 171687499
5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 95827791
(4-fluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 124985689
3-[[6-(5,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 155986724
5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 71479429
(4-benzyloxan-4-yl)-[(1S,5S)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 124973779

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 124978658) is (3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is c1cc2cc(C[C@H]3COC4(CCNCC4)C3)cnc2[nH]1.
What is the InChIKey of (3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is LVPRNAGKHAPJFZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-18-15-14(1)8-12(10-19-15)7-13-9-16(20-11-13)2-5-17-6-3-16/h1,4,8,10,13,17H,2-3,5-7,9,11H2,(H,18,19)/t13-/m1/s1.
What are the key properties of (3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 271.36 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 124978658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).