5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C16H22N6O2 — CID 120662694

IUPAC5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC/N=C(\NCc1ccco1)NCC1CCn2ncc(C(N)=O)c2C1
InChIInChI=1S/C16H22N6O2/c1-18-16(20-9-12-3-2-6-24-12)19-8-11-4-5-22-14(7-11)13(10-21-22)15(17)23/h2-3,6,10-11H,4-5,7-9H2,1H3,(H2,17,23)(H2,18,19,20)
InChIKeyYGFLAGZLJUZHHX-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.50
Rot. Bonds5

About 5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 120662694) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID120662694
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC/N=C(\NCc1ccco1)NCC1CCn2ncc(C(N)=O)c2C1
InChIInChI=1S/C16H22N6O2/c1-18-16(20-9-12-3-2-6-24-12)19-8-11-4-5-22-14(7-11)13(10-21-22)15(17)23/h2-3,6,10-11H,4-5,7-9H2,1H3,(H2,17,23)(H2,18,19,20)
InChIKeyYGFLAGZLJUZHHX-UHFFFAOYSA-N
XLogP0.50
TPSA110.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.50
H-Bond Donors ≤ 53
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

tert-butyl 4-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 110934744
1-(furan-2-ylmethyl)-2-methyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110934528
5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
1-(furan-2-ylmethyl)-2-methyl-3-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine
CID 120972939
1-[(1,1-dioxothian-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 91660388
1-(furan-2-ylmethyl)-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 110934822
(5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129489612
(5S)-5-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 100630985
1-(furan-2-ylmethyl)-3-[(2-methoxycyclopentyl)methyl]-2-methylguanidine
CID 86782106
N-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 129479422
5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128974725
2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035936

Frequently Asked Questions

What is the IUPAC name of 5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 120662694) is 5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is C/N=C(\NCc1ccco1)NCC1CCn2ncc(C(N)=O)c2C1.
What is the InChIKey of 5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is YGFLAGZLJUZHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-18-16(20-9-12-3-2-6-24-12)19-8-11-4-5-22-14(7-11)13(10-21-22)15(17)23/h2-3,6,10-11H,4-5,7-9H2,1H3,(H2,17,23)(H2,18,19,20).
What are the key properties of 5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 120662694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).