azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone

C19H22N4O2 — CID 35184700

IUPACazepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCCCCC3)c12
InChIInChI=1S/C19H22N4O2/c1-13-17-14(19(24)23-9-5-3-4-6-10-23)12-15(16-8-7-11-25-16)20-18(17)22(2)21-13/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyPXAOIXLDOHCRTH-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.55
Rot. Bonds2

About azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone

azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 35184700) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID35184700
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Nameazepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCCCCC3)c12
InChIInChI=1S/C19H22N4O2/c1-13-17-14(19(24)23-9-5-3-4-6-10-23)12-15(16-8-7-11-25-16)20-18(17)22(2)21-13/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyPXAOIXLDOHCRTH-UHFFFAOYSA-N
XLogP3.55
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 46564669
[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 55972717
tert-butyl 4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate
CID 46533052
[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51854336
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 16609396
azepan-1-yl-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44823238
2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile
CID 56583117
piperidin-1-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16620882
N-cyclopropyl-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35185320
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 55916436
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 33290148
[4-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 34471542

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone (CID 35184700) is azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone is Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCCCCC3)c12.
What is the InChIKey of azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is PXAOIXLDOHCRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-17-14(19(24)23-9-5-3-4-6-10-23)12-15(16-8-7-11-25-16)20-18(17)22(2)21-13/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone?
azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 35184700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).