7-methoxy-1'-propan-2-yl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

C23H28N4O2 — CID 4023593

IUPAC7-methoxy-1'-propan-2-yl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
SMILESCOc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3cccnc3)CC21
InChIInChI=1S/C23H28N4O2/c1-16(2)26-12-9-23(10-13-26)27-20(14-19(25-27)17-6-5-11-24-15-17)18-7-4-8-21(28-3)22(18)29-23/h4-8,11,15-16,20H,9-10,12-14H2,1-3H3
InChIKeyQOAXLBFJIDGZTP-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.83
Rot. Bonds3

About 7-methoxy-1'-propan-2-yl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

7-methoxy-1'-propan-2-yl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (PubChem CID 4023593) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 7-methoxy-1'-propan-2-yl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].

Molecular Properties

Compound Name7-methoxy-1'-propan-2-yl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
PubChem CID4023593
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name7-methoxy-1'-propan-2-yl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
SMILESCOc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3cccnc3)CC21
InChIInChI=1S/C23H28N4O2/c1-16(2)26-12-9-23(10-13-26)27-20(14-19(25-27)17-6-5-11-24-15-17)18-7-4-8-21(28-3)22(18)29-23/h4-8,11,15-16,20H,9-10,12-14H2,1-3H3
InChIKeyQOAXLBFJIDGZTP-UHFFFAOYSA-N
XLogP3.83
TPSA50.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1'-propan-2-yl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The IUPAC name of 7-methoxy-1'-propan-2-yl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (CID 4023593) is 7-methoxy-1'-propan-2-yl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].
What is the SMILES notation for 7-methoxy-1'-propan-2-yl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The canonical SMILES for 7-methoxy-1'-propan-2-yl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3cccnc3)CC21.
What is the InChIKey of 7-methoxy-1'-propan-2-yl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The InChIKey is QOAXLBFJIDGZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16(2)26-12-9-23(10-13-26)27-20(14-19(25-27)17-6-5-11-24-15-17)18-7-4-8-21(28-3)22(18)29-23/h4-8,11,15-16,20H,9-10,12-14H2,1-3H3.
What are the key properties of 7-methoxy-1'-propan-2-yl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
7-methoxy-1'-propan-2-yl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] has a molecular weight of 392.50 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1'-propan-2-yl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is sourced from PubChem (CID 4023593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).