[3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone

C22H26N6O3 — CID 166616395

IUPAC[3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCc2c(C(=O)N3CCCC(Cn4ccnc4)C3)n[nH]c2C1
InChIInChI=1S/C22H26N6O3/c1-15-5-10-31-20(15)22(30)28-8-4-17-18(13-28)24-25-19(17)21(29)27-7-2-3-16(12-27)11-26-9-6-23-14-26/h5-6,9-10,14,16H,2-4,7-8,11-13H2,1H3,(H,24,25)
InChIKeyZAUVYBMYVQQVQQ-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.26
Rot. Bonds4

About [3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone

[3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 166616395) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is [3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone
PubChem CID166616395
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name[3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCc2c(C(=O)N3CCCC(Cn4ccnc4)C3)n[nH]c2C1
InChIInChI=1S/C22H26N6O3/c1-15-5-10-31-20(15)22(30)28-8-4-17-18(13-28)24-25-19(17)21(29)27-7-2-3-16(12-27)11-26-9-6-23-14-26/h5-6,9-10,14,16H,2-4,7-8,11-13H2,1H3,(H,24,25)
InChIKeyZAUVYBMYVQQVQQ-UHFFFAOYSA-N
XLogP2.26
TPSA100.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone (CID 166616395) is [3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCc2c(C(=O)N3CCCC(Cn4ccnc4)C3)n[nH]c2C1.
What is the InChIKey of [3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is ZAUVYBMYVQQVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-15-5-10-31-20(15)22(30)28-8-4-17-18(13-28)24-25-19(17)21(29)27-7-2-3-16(12-27)11-26-9-6-23-14-26/h5-6,9-10,14,16H,2-4,7-8,11-13H2,1H3,(H,24,25).
What are the key properties of [3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone?
[3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 422.49 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 166616395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).