1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea

C16H25N5O2 — CID 111473744

IUPAC1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C16H25N5O2/c1-4-5-12(6-7-22)9-18-16(23)19-13-8-14-11(2)20-21(3)15(14)17-10-13/h8,10,12,22H,4-7,9H2,1-3H3,(H2,18,19,23)
InChIKeyBFNIHAFSFFFKAA-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.20
Rot. Bonds7

About 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea

1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea (PubChem CID 111473744) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
PubChem CID111473744
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C16H25N5O2/c1-4-5-12(6-7-22)9-18-16(23)19-13-8-14-11(2)20-21(3)15(14)17-10-13/h8,10,12,22H,4-7,9H2,1-3H3,(H2,18,19,23)
InChIKeyBFNIHAFSFFFKAA-UHFFFAOYSA-N
XLogP2.20
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-hydroxybutyl)urea
CID 111336846
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea
CID 95126845
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea
CID 56813426
3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoylamino]-2,2-dimethylpropanamide
CID 86993902
1-butyl-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-hydroxyethyl)urea
CID 110892708
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 43710001
1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725533
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 71976488
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea
CID 146124549
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 52501381
1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474640
N-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 104720212

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea (CID 111473744) is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea.
What is the SMILES notation for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The canonical SMILES for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea is CCCC(CCO)CNC(=O)Nc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The InChIKey is BFNIHAFSFFFKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-4-5-12(6-7-22)9-18-16(23)19-13-8-14-11(2)20-21(3)15(14)17-10-13/h8,10,12,22H,4-7,9H2,1-3H3,(H2,18,19,23).
What are the key properties of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea?
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea has a molecular weight of 319.41 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea is sourced from PubChem (CID 111473744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).