2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

C29H30N4O — CID 3497658

IUPAC2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
SMILESc1cncc(C2=NN3C(C2)c2ccccc2OC32CCN(C3CCCc4ccccc43)CC2)c1
InChIInChI=1S/C29H30N4O/c1-2-10-23-21(7-1)8-5-12-26(23)32-17-14-29(15-18-32)33-27(24-11-3-4-13-28(24)34-29)19-25(31-33)22-9-6-16-30-20-22/h1-4,6-7,9-11,13,16,20,26-27H,5,8,12,14-15,17-19H2
InChIKeyFMOLZDMHNHMWGD-UHFFFAOYSA-N
MW450.59 g/mol
LogP5.49
Rot. Bonds2

About 2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (PubChem CID 3497658) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is 2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].

Molecular Properties

Compound Name2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
PubChem CID3497658
Molecular FormulaC29H30N4O
Molecular Weight450.59 g/mol
Exact Mass450.24
IUPAC Name2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
SMILESc1cncc(C2=NN3C(C2)c2ccccc2OC32CCN(C3CCCc4ccccc43)CC2)c1
InChIInChI=1S/C29H30N4O/c1-2-10-23-21(7-1)8-5-12-26(23)32-17-14-29(15-18-32)33-27(24-11-3-4-13-28(24)34-29)19-25(31-33)22-9-6-16-30-20-22/h1-4,6-7,9-11,13,16,20,26-27H,5,8,12,14-15,17-19H2
InChIKeyFMOLZDMHNHMWGD-UHFFFAOYSA-N
XLogP5.49
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] with MolForge

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Related Compounds

5-(1-Methyl-4-piperidinylidene)-5H-(1)benzopyrano(2,3-b)pyridine
CID 38298
1'-Ethyl-7-methoxy-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
CID 3668127
1'-Propyl-2-(pyridin-4-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
CID 3898525
9-Bromo-1'-isopropyl-2-(pyridin-3-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
CID 3717232
1'-Ethyl-2-(pyridin-4-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
CID 4297073
1'-Methyl-2-(pyridin-4-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
CID 4895014
7'-Ethoxy-2'-pyridin-3-yl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
CID 6616948
1'-(2-Phenylethyl)-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
CID 44416290
1'-(2-Methylpropyl)-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
CID 44416309
1'-Isopropyl-7-methoxy-2-(pyridin-3-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
CID 4023593
2-(4-Methoxyphenyl)-5-(4-pyridinyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
CID 3157036
5,5-Dimethyl-2-pyridin-4-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 44416351

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The IUPAC name of 2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (CID 3497658) is 2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].
What is the SMILES notation for 2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The canonical SMILES for 2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is c1cncc(C2=NN3C(C2)c2ccccc2OC32CCN(C3CCCc4ccccc43)CC2)c1.
What is the InChIKey of 2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The InChIKey is FMOLZDMHNHMWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c1-2-10-23-21(7-1)8-5-12-26(23)32-17-14-29(15-18-32)33-27(24-11-3-4-13-28(24)34-29)19-25(31-33)22-9-6-16-30-20-22/h1-4,6-7,9-11,13,16,20,26-27H,5,8,12,14-15,17-19H2.
What are the key properties of 2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] has a molecular weight of 450.59 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is sourced from PubChem (CID 3497658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).