[5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone

C18H25N5O2 — CID 97461880

IUPAC[5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(CN2CCc3[nH]nc(C(=O)N4CCN(C)CC4)c3C2)o1
InChIInChI=1S/C18H25N5O2/c1-13-3-4-14(25-13)11-22-6-5-16-15(12-22)17(20-19-16)18(24)23-9-7-21(2)8-10-23/h3-4H,5-12H2,1-2H3,(H,19,20)
InChIKeyOQRPDVROXGFIBS-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.26
Rot. Bonds3

About [5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone

[5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 97461880) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID97461880
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(CN2CCc3[nH]nc(C(=O)N4CCN(C)CC4)c3C2)o1
InChIInChI=1S/C18H25N5O2/c1-13-3-4-14(25-13)11-22-6-5-16-15(12-22)17(20-19-16)18(24)23-9-7-21(2)8-10-23/h3-4H,5-12H2,1-2H3,(H,19,20)
InChIKeyOQRPDVROXGFIBS-UHFFFAOYSA-N
XLogP1.26
TPSA68.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

N-cyclopropyl-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16188732
3-{1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}-N-[(5-methyl-2-furyl)methyl]propanamide
CID 16192319
1-(furan-2-ylmethyl)-3-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]urea
CID 168291510
furan-2-yl(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 17583658
1-[3-(2,4-Dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(furan-2-carbonyl)piperazine
CID 20906584
N-(furan-2-ylmethyl)-5-phenyl-1H-pyrazole-3-carboxamide
CID 8867965
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}acetamide
CID 16192234
2-furyl-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazino]methanone
CID 20864976
furan-2-yl(4-{[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl}piperazin-1-yl)methanone
CID 20865042
1-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(furan-2-carbonyl)piperazine
CID 20906546
5-(3,5-dimethyl-2-furoyl)-3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 42098100
[4-(furan-2-ylmethyl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 45830705

Frequently Asked Questions

What is the IUPAC name of [5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 97461880) is [5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone is Cc1ccc(CN2CCc3[nH]nc(C(=O)N4CCN(C)CC4)c3C2)o1.
What is the InChIKey of [5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is OQRPDVROXGFIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-3-4-14(25-13)11-22-6-5-16-15(12-22)17(20-19-16)18(24)23-9-7-21(2)8-10-23/h3-4H,5-12H2,1-2H3,(H,19,20).
What are the key properties of [5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone?
[5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-methylfuran-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 97461880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).