5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C20H26FN7O — CID 120662708

IUPAC5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnn2c1CC(C/N=C(\N)N1CCN(c3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C20H26FN7O/c21-15-1-3-16(4-2-15)26-7-9-27(10-8-26)20(23)24-12-14-5-6-28-18(11-14)17(13-25-28)19(22)29/h1-4,13-14H,5-12H2,(H2,22,29)(H2,23,24)
InChIKeyZOMZEUZKTZNAQH-UHFFFAOYSA-N
MW399.47 g/mol
LogP0.82
Rot. Bonds4

About 5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 120662708) has the molecular formula C20H26FN7O and a molecular weight of 399.47 g/mol. Its IUPAC name is 5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID120662708
Molecular FormulaC20H26FN7O
Molecular Weight399.47 g/mol
Exact Mass399.22
IUPAC Name5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnn2c1CC(C/N=C(\N)N1CCN(c3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C20H26FN7O/c21-15-1-3-16(4-2-15)26-7-9-27(10-8-26)20(23)24-12-14-5-6-28-18(11-14)17(13-25-28)19(22)29/h1-4,13-14H,5-12H2,(H2,22,29)(H2,23,24)
InChIKeyZOMZEUZKTZNAQH-UHFFFAOYSA-N
XLogP0.82
TPSA105.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;hydroiodide
CID 120662681
5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 120662690
4-(4-fluorophenyl)-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111077564
N'-[(1,1-dioxothiolan-3-yl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111045921
4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide
CID 119148519
4-(4-fluorophenyl)-N'-(oxan-3-ylmethyl)piperazine-1-carboximidamide
CID 119119749
N'-[(4-cyanocyclohexyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 120727905
4-(4-fluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]piperazine-1-carboximidamide
CID 111802822
N'-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111084722
4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111803667
4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide
CID 119120037
N'-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111808353

Frequently Asked Questions

What is the IUPAC name of 5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 120662708) is 5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is NC(=O)c1cnn2c1CC(C/N=C(\N)N1CCN(c3ccc(F)cc3)CC1)CC2.
What is the InChIKey of 5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZOMZEUZKTZNAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN7O/c21-15-1-3-16(4-2-15)26-7-9-27(10-8-26)20(23)24-12-14-5-6-28-18(11-14)17(13-25-28)19(22)29/h1-4,13-14H,5-12H2,(H2,22,29)(H2,23,24).
What are the key properties of 5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 120662708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).