1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea

C17H23N5O — CID 166256426

IUPAC1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea
SMILESCC(C)(C)c1ccc(NC(=O)Nc2cnn3c2CCCC3)nc1
InChIInChI=1S/C17H23N5O/c1-17(2,3)12-7-8-15(18-10-12)21-16(23)20-13-11-19-22-9-5-4-6-14(13)22/h7-8,10-11H,4-6,9H2,1-3H3,(H2,18,20,21,23)
InChIKeyYTYCOAUGTJODRJ-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.56
Rot. Bonds2

About 1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea

1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea (PubChem CID 166256426) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea
PubChem CID166256426
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea
SMILESCC(C)(C)c1ccc(NC(=O)Nc2cnn3c2CCCC3)nc1
InChIInChI=1S/C17H23N5O/c1-17(2,3)12-7-8-15(18-10-12)21-16(23)20-13-11-19-22-9-5-4-6-14(13)22/h7-8,10-11H,4-6,9H2,1-3H3,(H2,18,20,21,23)
InChIKeyYTYCOAUGTJODRJ-UHFFFAOYSA-N
XLogP3.56
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea with MolForge

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Related Compounds

2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid
CID 120528669
N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylpropanamide
CID 58417149
cis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 138056033
1-(6-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)urea
CID 166313179
1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108884929
4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide
CID 166362554
5-piperidin-4-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-oxazole-4-carboxamide
CID 167939765
1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
CID 166280824
1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea
CID 23263071
4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid
CID 120512943
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120512689
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid
CID 66764821

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea?
The IUPAC name of 1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea (CID 166256426) is 1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea.
What is the SMILES notation for 1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea?
The canonical SMILES for 1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea is CC(C)(C)c1ccc(NC(=O)Nc2cnn3c2CCCC3)nc1.
What is the InChIKey of 1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea?
The InChIKey is YTYCOAUGTJODRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-17(2,3)12-7-8-15(18-10-12)21-16(23)20-13-11-19-22-9-5-4-6-14(13)22/h7-8,10-11H,4-6,9H2,1-3H3,(H2,18,20,21,23).
What are the key properties of 1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea?
1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea has a molecular weight of 313.41 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea is sourced from PubChem (CID 166256426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).