7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one

C15H21N5O2 — CID 167871508

IUPAC7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one
SMILESO=C1CCCC2CN(C(=O)c3n[nH]c4c3CCNC4)CC2N1
InChIInChI=1S/C15H21N5O2/c21-13-3-1-2-9-7-20(8-12(9)17-13)15(22)14-10-4-5-16-6-11(10)18-19-14/h9,12,16H,1-8H2,(H,17,21)(H,18,19)
InChIKeyFWKFISNQLLDUAY-UHFFFAOYSA-N
MW303.37 g/mol
LogP-0.20
Rot. Bonds1

About 7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one

7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one (PubChem CID 167871508) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one.

Molecular Properties

Compound Name7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one
PubChem CID167871508
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one
SMILESO=C1CCCC2CN(C(=O)c3n[nH]c4c3CCNC4)CC2N1
InChIInChI=1S/C15H21N5O2/c21-13-3-1-2-9-7-20(8-12(9)17-13)15(22)14-10-4-5-16-6-11(10)18-19-14/h9,12,16H,1-8H2,(H,17,21)(H,18,19)
InChIKeyFWKFISNQLLDUAY-UHFFFAOYSA-N
XLogP-0.20
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one?
The IUPAC name of 7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one (CID 167871508) is 7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one.
What is the SMILES notation for 7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one?
The canonical SMILES for 7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one is O=C1CCCC2CN(C(=O)c3n[nH]c4c3CCNC4)CC2N1.
What is the InChIKey of 7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one?
The InChIKey is FWKFISNQLLDUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c21-13-3-1-2-9-7-20(8-12(9)17-13)15(22)14-10-4-5-16-6-11(10)18-19-14/h9,12,16H,1-8H2,(H,17,21)(H,18,19).
What are the key properties of 7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one?
7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one has a molecular weight of 303.37 g/mol, XLogP of -0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-2-one is sourced from PubChem (CID 167871508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).