1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea

C15H21N5O2 — CID 95126923

IUPAC1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
SMILESCc1nn(C)c2ncc(NC(=O)N[C@@H](C)[C@@H]3CCCO3)cc12
InChIInChI=1S/C15H21N5O2/c1-9-12-7-11(8-16-14(12)20(3)19-9)18-15(21)17-10(2)13-5-4-6-22-13/h7-8,10,13H,4-6H2,1-3H3,(H2,17,18,21)/t10-,13-/m0/s1
InChIKeySFLCLNNXWIFWHX-GWCFXTLKSA-N
MW303.37 g/mol
LogP1.97
Rot. Bonds3

About 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea

1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea (PubChem CID 95126923) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
PubChem CID95126923
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
SMILESCc1nn(C)c2ncc(NC(=O)N[C@@H](C)[C@@H]3CCCO3)cc12
InChIInChI=1S/C15H21N5O2/c1-9-12-7-11(8-16-14(12)20(3)19-9)18-15(21)17-10(2)13-5-4-6-22-13/h7-8,10,13H,4-6H2,1-3H3,(H2,17,18,21)/t10-,13-/m0/s1
InChIKeySFLCLNNXWIFWHX-GWCFXTLKSA-N
XLogP1.97
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea with MolForge

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Related Compounds

Azd-7648
CID 135151360
1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-methylurea
CID 25261227
methyl 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(4-(3-pyridin-3-ylureido)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
CID 25261555
1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-methylurea
CID 25262616
1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-ethylurea
CID 25262617
1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(pyridin-3-yl)urea
CID 25262783
methyl 4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(4-(3-pyridin-3-ylureido)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
CID 45482923
1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-methylurea
CID 45482952
1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(pyridin-3-yl)urea
CID 45482982
1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)urea
CID 45488057
1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(6-(methylamino)pyridin-3-yl)urea
CID 45488066
1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(6-morpholinopyridin-3-yl)urea
CID 45488070

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea (CID 95126923) is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea is Cc1nn(C)c2ncc(NC(=O)N[C@@H](C)[C@@H]3CCCO3)cc12.
What is the InChIKey of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The InChIKey is SFLCLNNXWIFWHX-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9-12-7-11(8-16-14(12)20(3)19-9)18-15(21)17-10(2)13-5-4-6-22-13/h7-8,10,13H,4-6H2,1-3H3,(H2,17,18,21)/t10-,13-/m0/s1.
What are the key properties of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea has a molecular weight of 303.37 g/mol, XLogP of 1.97, 3 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-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 95126923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).