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

C14H23IN6OS — CID 120662681

IUPAC5-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;hydroiodide
SMILESI.NC(=O)c1cnn2c1CC(C/N=C(\N)N1CCSCC1)CC2
InChIInChI=1S/C14H22N6OS.HI/c15-13(21)11-9-18-20-2-1-10(7-12(11)20)8-17-14(16)19-3-5-22-6-4-19;/h9-10H,1-8H2,(H2,15,21)(H2,16,17);1H
InChIKeyPMHHWANEORTPDK-UHFFFAOYSA-N
MW450.35 g/mol
LogP0.53
Rot. Bonds3

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

5-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;hydroiodide (PubChem CID 120662681) has the molecular formula C14H23IN6OS and a molecular weight of 450.35 g/mol. Its IUPAC name is 5-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;hydroiodide.

Molecular Properties

Compound Name5-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;hydroiodide
PubChem CID120662681
Molecular FormulaC14H23IN6OS
Molecular Weight450.35 g/mol
Exact Mass450.07
IUPAC Name5-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;hydroiodide
SMILESI.NC(=O)c1cnn2c1CC(C/N=C(\N)N1CCSCC1)CC2
InChIInChI=1S/C14H22N6OS.HI/c15-13(21)11-9-18-20-2-1-10(7-12(11)20)8-17-14(16)19-3-5-22-6-4-19;/h9-10H,1-8H2,(H2,15,21)(H2,16,17);1H
InChIKeyPMHHWANEORTPDK-UHFFFAOYSA-N
XLogP0.53
TPSA102.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.35
LogP ≤ 50.53
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 120662708
5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 120662690
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
tert-butyl 3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]pyrrolidine-1-carboxylate;hydroiodide
CID 110032289
N'-[(1-methylpiperidin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111802041
N'-[(4-methoxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119148504
N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111803495
(5R)-5-[[3-(4-propan-2-ylphenyl)propanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129479397
N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 119146805
5-amino-N-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 165463014
5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
N'-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111092631

Frequently Asked Questions

What is the IUPAC name of 5-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;hydroiodide?
The IUPAC name of 5-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;hydroiodide (CID 120662681) is 5-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;hydroiodide.
What is the SMILES notation for 5-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;hydroiodide?
The canonical SMILES for 5-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;hydroiodide is I.NC(=O)c1cnn2c1CC(C/N=C(\N)N1CCSCC1)CC2.
What is the InChIKey of 5-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;hydroiodide?
The InChIKey is PMHHWANEORTPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6OS.HI/c15-13(21)11-9-18-20-2-1-10(7-12(11)20)8-17-14(16)19-3-5-22-6-4-19;/h9-10H,1-8H2,(H2,15,21)(H2,16,17);1H.
What are the key properties of 5-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;hydroiodide?
5-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;hydroiodide has a molecular weight of 450.35 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;hydroiodide is sourced from PubChem (CID 120662681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).