(1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone

C19H21N5O3 — CID 96578185

IUPAC(1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone
SMILESCn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2ccc(Cn3cccn3)o2)C1
InChIInChI=1S/C19H21N5O3/c1-22-11-8-20-18(22)17(25)14-4-2-9-23(12-14)19(26)16-6-5-15(27-16)13-24-10-3-7-21-24/h3,5-8,10-11,14H,2,4,9,12-13H2,1H3/t14-/m0/s1
InChIKeyPTTWEOCVXXDZSH-AWEZNQCLSA-N
MW367.41 g/mol
LogP1.99
Rot. Bonds5

About (1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone

(1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone (PubChem CID 96578185) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone
PubChem CID96578185
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name(1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone
SMILESCn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2ccc(Cn3cccn3)o2)C1
InChIInChI=1S/C19H21N5O3/c1-22-11-8-20-18(22)17(25)14-4-2-9-23(12-14)19(26)16-6-5-15(27-16)13-24-10-3-7-21-24/h3,5-8,10-11,14H,2,4,9,12-13H2,1H3/t14-/m0/s1
InChIKeyPTTWEOCVXXDZSH-AWEZNQCLSA-N
XLogP1.99
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 79030798
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 114680093
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 62372378
morpholin-4-yl-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 35762490
[5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone
CID 56898948
(1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 95125513
[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70786688
[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70786107
[1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55615893
[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70742832
(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
(1-methylimidazol-2-yl)-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 70723610

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone (CID 96578185) is (1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone is Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2ccc(Cn3cccn3)o2)C1.
What is the InChIKey of (1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone?
The InChIKey is PTTWEOCVXXDZSH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-22-11-8-20-18(22)17(25)14-4-2-9-23(12-14)19(26)16-6-5-15(27-16)13-24-10-3-7-21-24/h3,5-8,10-11,14H,2,4,9,12-13H2,1H3/t14-/m0/s1.
What are the key properties of (1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone?
(1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone has a molecular weight of 367.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone is sourced from PubChem (CID 96578185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).