1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea

C19H20N4O — CID 124759538

IUPAC1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea
SMILESO=C(NCc1cccc2ccccc12)N[C@H]1CCn2nccc2C1
InChIInChI=1S/C19H20N4O/c24-19(22-16-9-11-23-17(12-16)8-10-21-23)20-13-15-6-3-5-14-4-1-2-7-18(14)15/h1-8,10,16H,9,11-13H2,(H2,20,22,24)/t16-/m0/s1
InChIKeyGDEYYGJRTJTYBY-INIZCTEOSA-N
MW320.40 g/mol
LogP2.85
Rot. Bonds3

About 1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea

1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea (PubChem CID 124759538) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea
PubChem CID124759538
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea
SMILESO=C(NCc1cccc2ccccc12)N[C@H]1CCn2nccc2C1
InChIInChI=1S/C19H20N4O/c24-19(22-16-9-11-23-17(12-16)8-10-21-23)20-13-15-6-3-5-14-4-1-2-7-18(14)15/h1-8,10,16H,9,11-13H2,(H2,20,22,24)/t16-/m0/s1
InChIKeyGDEYYGJRTJTYBY-INIZCTEOSA-N
XLogP2.85
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea with MolForge

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Related Compounds

1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 71789120
2-pyrazol-1-yl-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]acetamide
CID 129355323
2-pyrazol-1-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetamide
CID 121018766
1-[1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-3-(naphthalen-1-ylmethyl)urea
CID 91812562
2-methylsulfanyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]benzamide
CID 124760369
1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea
CID 57264395
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
N-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]benzamide
CID 2802697
1-(1-propylpiperidin-4-yl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 154748194
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea
CID 25306313
methyl 4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111978160

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea (CID 124759538) is 1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea is O=C(NCc1cccc2ccccc12)N[C@H]1CCn2nccc2C1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea?
The InChIKey is GDEYYGJRTJTYBY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(22-16-9-11-23-17(12-16)8-10-21-23)20-13-15-6-3-5-14-4-1-2-7-18(14)15/h1-8,10,16H,9,11-13H2,(H2,20,22,24)/t16-/m0/s1.
What are the key properties of 1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea?
1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea has a molecular weight of 320.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea is sourced from PubChem (CID 124759538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).