[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone

C19H22N4O2 — CID 56779807

IUPAC[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CCCC(n4nc(C)cc4C)C3)cc2n1
InChIInChI=1S/C19H22N4O2/c1-12-6-7-17-16(20-12)10-18(25-17)19(24)22-8-4-5-15(11-22)23-14(3)9-13(2)21-23/h6-7,9-10,15H,4-5,8,11H2,1-3H3
InChIKeyQIOFFGMVRMSVFB-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.43
Rot. Bonds2

About [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone

[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone (PubChem CID 56779807) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
PubChem CID56779807
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CCCC(n4nc(C)cc4C)C3)cc2n1
InChIInChI=1S/C19H22N4O2/c1-12-6-7-17-16(20-12)10-18(25-17)19(24)22-8-4-5-15(11-22)23-14(3)9-13(2)21-23/h6-7,9-10,15H,4-5,8,11H2,1-3H3
InChIKeyQIOFFGMVRMSVFB-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606705
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 95340989
[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone
CID 97270049
[4-(methylamino)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 119564041
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95346427
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95354154
1,3-benzodioxol-5-yl-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95338015
[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 95978646
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 119634678
[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95737303
5-methyl-2-[4-(sulfamoylamino)piperidine-1-carbonyl]furo[3,2-b]pyridine
CID 167911199
5-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95347958

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone (CID 56779807) is [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone.
What is the SMILES notation for [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The canonical SMILES for [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone is Cc1ccc2oc(C(=O)N3CCCC(n4nc(C)cc4C)C3)cc2n1.
What is the InChIKey of [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The InChIKey is QIOFFGMVRMSVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-6-7-17-16(20-12)10-18(25-17)19(24)22-8-4-5-15(11-22)23-14(3)9-13(2)21-23/h6-7,9-10,15H,4-5,8,11H2,1-3H3.
What are the key properties of [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone has a molecular weight of 338.41 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone is sourced from PubChem (CID 56779807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).