1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea

C16H24N6O — CID 95126845

IUPAC1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea
SMILESCCN1CC[C@@H](CNC(=O)Nc2cnc3c(c2)c(C)nn3C)C1
InChIInChI=1S/C16H24N6O/c1-4-22-6-5-12(10-22)8-18-16(23)19-13-7-14-11(2)20-21(3)15(14)17-9-13/h7,9,12H,4-6,8,10H2,1-3H3,(H2,18,19,23)/t12-/m0/s1
InChIKeyHLVBPSNNGNZKLL-LBPRGKRZSA-N
MW316.41 g/mol
LogP1.74
Rot. Bonds4

About 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea

1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea (PubChem CID 95126845) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea
PubChem CID95126845
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea
SMILESCCN1CC[C@@H](CNC(=O)Nc2cnc3c(c2)c(C)nn3C)C1
InChIInChI=1S/C16H24N6O/c1-4-22-6-5-12(10-22)8-18-16(23)19-13-7-14-11(2)20-21(3)15(14)17-9-13/h7,9,12H,4-6,8,10H2,1-3H3,(H2,18,19,23)/t12-/m0/s1
InChIKeyHLVBPSNNGNZKLL-LBPRGKRZSA-N
XLogP1.74
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea (CID 95126845) is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea is CCN1CC[C@@H](CNC(=O)Nc2cnc3c(c2)c(C)nn3C)C1.
What is the InChIKey of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea?
The InChIKey is HLVBPSNNGNZKLL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N6O/c1-4-22-6-5-12(10-22)8-18-16(23)19-13-7-14-11(2)20-21(3)15(14)17-9-13/h7,9,12H,4-6,8,10H2,1-3H3,(H2,18,19,23)/t12-/m0/s1.
What are the key properties of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea?
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea has a molecular weight of 316.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 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-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 95126845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).