(1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane

C22H25N5O3 — CID 71007922

IUPAC(1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESc1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(N2[C@@H]3CC[C@H]2COC3)n1
InChIInChI=1S/C22H25N5O3/c1-2-16-13-29-12-15(1)27(16)19-11-14(3-7-23-19)21-20-18(25-26-21)4-8-24-22(20)30-17-5-9-28-10-6-17/h3-4,7-8,11,15-17H,1-2,5-6,9-10,12-13H2,(H,25,26)/t15-,16+
InChIKeyVFYKLOJIGSNTEV-IYBDPMFKSA-N
MW407.47 g/mol
LogP2.95
Rot. Bonds4

About (1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane

(1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 71007922) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is (1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID71007922
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name(1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESc1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(N2[C@@H]3CC[C@H]2COC3)n1
InChIInChI=1S/C22H25N5O3/c1-2-16-13-29-12-15(1)27(16)19-11-14(3-7-23-19)21-20-18(25-26-21)4-8-24-22(20)30-17-5-9-28-10-6-17/h3-4,7-8,11,15-17H,1-2,5-6,9-10,12-13H2,(H,25,26)/t15-,16+
InChIKeyVFYKLOJIGSNTEV-IYBDPMFKSA-N
XLogP2.95
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 56942365
3-(1H-indazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 66826754
2-N-iodo-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-N-(oxolan-3-yl)benzene-1,2-diamine
CID 88578347
N-[3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide
CID 66829113
N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 66828941
4-[4-[4-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 66829105
4-[4-(4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine
CID 66829079
3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-ethoxy-1H-indazole
CID 123204578
3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine
CID 59618824
8-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 118657092
7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane
CID 78324051
[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone
CID 71007923

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane (CID 71007922) is (1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane is c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(N2[C@@H]3CC[C@H]2COC3)n1.
What is the InChIKey of (1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is VFYKLOJIGSNTEV-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-2-16-13-29-12-15(1)27(16)19-11-14(3-7-23-19)21-20-18(25-26-21)4-8-24-22(20)30-17-5-9-28-10-6-17/h3-4,7-8,11,15-17H,1-2,5-6,9-10,12-13H2,(H,25,26)/t15-,16+.
What are the key properties of (1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane?
(1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 407.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 71007922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).