(5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

C19H22N4O2 — CID 95603468

IUPAC(5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(C[C@@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)c1
InChIInChI=1S/C19H22N4O2/c1-13-10-20-22(11-13)12-15-5-3-4-8-23(15)19(24)18-9-16-17(25-18)7-6-14(2)21-16/h6-7,9-11,15H,3-5,8,12H2,1-2H3/t15-/m0/s1
InChIKeyYFVFAMMABCIOCW-HNNXBMFYSA-N
MW338.41 g/mol
LogP3.34
Rot. Bonds3

About (5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

(5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 95603468) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID95603468
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(C[C@@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)c1
InChIInChI=1S/C19H22N4O2/c1-13-10-20-22(11-13)12-15-5-3-4-8-23(15)19(24)18-9-16-17(25-18)7-6-14(2)21-16/h6-7,9-11,15H,3-5,8,12H2,1-2H3/t15-/m0/s1
InChIKeyYFVFAMMABCIOCW-HNNXBMFYSA-N
XLogP3.34
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
CID 119469805
1-benzofuran-2-yl-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95351459
N-ethyl-2-[1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperidin-2-yl]acetamide
CID 146085668
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 119634678
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95603369
1-methyl-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridin-2-one
CID 95315079
2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95607626
(5-methylfuro[3,2-b]pyridin-2-yl)-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 138996158
(3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607677
2H-benzotriazol-5-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95349539
[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56779011
[6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603215

Frequently Asked Questions

What is the IUPAC name of (5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 95603468) is (5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cc3nc(C)ccc3o2)c1.
What is the InChIKey of (5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is YFVFAMMABCIOCW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-10-20-22(11-13)12-15-5-3-4-8-23(15)19(24)18-9-16-17(25-18)7-6-14(2)21-16/h6-7,9-11,15H,3-5,8,12H2,1-2H3/t15-/m0/s1.
What are the key properties of (5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
(5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95603468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).