1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydropyrazolo[5,4-d][1,3]oxazepine

C23H31N7O2 — CID 175219098

IUPAC1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydropyrazolo[5,4-d][1,3]oxazepine
SMILESCOc1ncc(-n2nc(-c3cnn(CC4CCN(C)CC4)c3)c3c2NCOCC3)cc1C
InChIInChI=1S/C23H31N7O2/c1-16-10-19(12-24-23(16)31-3)30-22-20(6-9-32-15-25-22)21(27-30)18-11-26-29(14-18)13-17-4-7-28(2)8-5-17/h10-12,14,17,25H,4-9,13,15H2,1-3H3
InChIKeyYHHCZMLRSDPPFU-UHFFFAOYSA-N
MW437.55 g/mol
LogP2.73
Rot. Bonds5

About 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydropyrazolo[5,4-d][1,3]oxazepine

1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydropyrazolo[5,4-d][1,3]oxazepine (PubChem CID 175219098) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydropyrazolo[5,4-d][1,3]oxazepine.

Molecular Properties

Compound Name1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydropyrazolo[5,4-d][1,3]oxazepine
PubChem CID175219098
Molecular FormulaC23H31N7O2
Molecular Weight437.55 g/mol
Exact Mass437.25
IUPAC Name1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydropyrazolo[5,4-d][1,3]oxazepine
SMILESCOc1ncc(-n2nc(-c3cnn(CC4CCN(C)CC4)c3)c3c2NCOCC3)cc1C
InChIInChI=1S/C23H31N7O2/c1-16-10-19(12-24-23(16)31-3)30-22-20(6-9-32-15-25-22)21(27-30)18-11-26-29(14-18)13-17-4-7-28(2)8-5-17/h10-12,14,17,25H,4-9,13,15H2,1-3H3
InChIKeyYHHCZMLRSDPPFU-UHFFFAOYSA-N
XLogP2.73
TPSA82.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydropyrazolo[5,4-d][1,3]oxazepine?
The IUPAC name of 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydropyrazolo[5,4-d][1,3]oxazepine (CID 175219098) is 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydropyrazolo[5,4-d][1,3]oxazepine.
What is the SMILES notation for 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydropyrazolo[5,4-d][1,3]oxazepine?
The canonical SMILES for 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydropyrazolo[5,4-d][1,3]oxazepine is COc1ncc(-n2nc(-c3cnn(CC4CCN(C)CC4)c3)c3c2NCOCC3)cc1C.
What is the InChIKey of 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydropyrazolo[5,4-d][1,3]oxazepine?
The InChIKey is YHHCZMLRSDPPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2/c1-16-10-19(12-24-23(16)31-3)30-22-20(6-9-32-15-25-22)21(27-30)18-11-26-29(14-18)13-17-4-7-28(2)8-5-17/h10-12,14,17,25H,4-9,13,15H2,1-3H3.
What are the key properties of 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydropyrazolo[5,4-d][1,3]oxazepine?
1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydropyrazolo[5,4-d][1,3]oxazepine has a molecular weight of 437.55 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-5-methyl-3-pyridinyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydropyrazolo[5,4-d][1,3]oxazepine is sourced from PubChem (CID 175219098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).