1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea

C17H17N7O2 — CID 129117284

IUPAC1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea
SMILESCOC(C)c1c(NC(=O)Nc2cncc(C#N)c2)cnc2cc(C)nn12
InChIInChI=1S/C17H17N7O2/c1-10-4-15-20-9-14(16(11(2)26-3)24(15)23-10)22-17(25)21-13-5-12(6-18)7-19-8-13/h4-5,7-9,11H,1-3H3,(H2,21,22,25)
InChIKeyBYCJUZDOTWEVRN-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.66
Rot. Bonds4

About 1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea

1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea (PubChem CID 129117284) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea.

Molecular Properties

Compound Name1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea
PubChem CID129117284
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea
SMILESCOC(C)c1c(NC(=O)Nc2cncc(C#N)c2)cnc2cc(C)nn12
InChIInChI=1S/C17H17N7O2/c1-10-4-15-20-9-14(16(11(2)26-3)24(15)23-10)22-17(25)21-13-5-12(6-18)7-19-8-13/h4-5,7-9,11H,1-3H3,(H2,21,22,25)
InChIKeyBYCJUZDOTWEVRN-UHFFFAOYSA-N
XLogP2.66
TPSA117.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea
CID 129117179
1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea
CID 129117204
1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-cyano-3-pyridinyl)urea
CID 121284512
1-[2-cyano-8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-(5-cyano-3-pyridinyl)urea
CID 156772670
1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
CID 142491629
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
CID 129072366
3-chloro-5-[[2-fluoro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]pyridine-2-carboxamide
CID 129117266
1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(difluoromethyl)-4-pyridinyl]urea
CID 118540207
1-[2-(difluoromethyl)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 168993805
3-chloro-5-[[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide
CID 172561681
1-(8-bromo-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]urea
CID 168993749
3-chloro-5-[[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-N-[2-(methylamino)ethoxy]pyridine-2-carboxamide
CID 172561640

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea?
The IUPAC name of 1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea (CID 129117284) is 1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea.
What is the SMILES notation for 1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea?
The canonical SMILES for 1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea is COC(C)c1c(NC(=O)Nc2cncc(C#N)c2)cnc2cc(C)nn12.
What is the InChIKey of 1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea?
The InChIKey is BYCJUZDOTWEVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c1-10-4-15-20-9-14(16(11(2)26-3)24(15)23-10)22-17(25)21-13-5-12(6-18)7-19-8-13/h4-5,7-9,11H,1-3H3,(H2,21,22,25).
What are the key properties of 1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea?
1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea has a molecular weight of 351.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea is sourced from PubChem (CID 129117284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).