1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]urea

C18H18Cl2N6O3 — CID 118540309

IUPAC1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
SMILESCOc1ncc(NC(=O)Nc2cnc3cc(Cl)nn3c2C2CCC(C)O2)cc1Cl
InChIInChI=1S/C18H18Cl2N6O3/c1-9-3-4-13(29-9)16-12(8-21-15-6-14(20)25-26(15)16)24-18(27)23-10-5-11(19)17(28-2)22-7-10/h5-9,13H,3-4H2,1-2H3,(H2,23,24,27)
InChIKeyGGCXEDOSFQGGEF-UHFFFAOYSA-N
MW437.29 g/mol
LogP4.32
Rot. Bonds4

About 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]urea

1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]urea (PubChem CID 118540309) has the molecular formula C18H18Cl2N6O3 and a molecular weight of 437.29 g/mol. Its IUPAC name is 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
PubChem CID118540309
Molecular FormulaC18H18Cl2N6O3
Molecular Weight437.29 g/mol
Exact Mass436.08
IUPAC Name1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
SMILESCOc1ncc(NC(=O)Nc2cnc3cc(Cl)nn3c2C2CCC(C)O2)cc1Cl
InChIInChI=1S/C18H18Cl2N6O3/c1-9-3-4-13(29-9)16-12(8-21-15-6-14(20)25-26(15)16)24-18(27)23-10-5-11(19)17(28-2)22-7-10/h5-9,13H,3-4H2,1-2H3,(H2,23,24,27)
InChIKeyGGCXEDOSFQGGEF-UHFFFAOYSA-N
XLogP4.32
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[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-[2-chloro-7-[1-(2-methoxyethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-6-methoxy-3-pyridinyl)urea
CID 118540266
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
CID 129072366
1-[2-chloro-7-(2-fluorocyclopropyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 142491552
2-[2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine-4-carboxylic acid
CID 118540254
tert-butyl 2-[2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine-4-carboxylate
CID 118540307
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-(5-oxaspiro[2.4]heptan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 118540153
1-[2-chloro-7-[(1S)-1-methoxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 118540274
1-[2-chloro-7-[(1S)-1-[(3S)-oxolan-3-yl]oxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 118540121
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
[2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]pyrazolo[1,5-a]pyrimidin-7-yl] morpholine-4-carboxylate
CID 142800999
1-[2-chloro-7-[1-(dimethylamino)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 118540249

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]urea?
The IUPAC name of 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]urea (CID 118540309) is 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]urea.
What is the SMILES notation for 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]urea?
The canonical SMILES for 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]urea is COc1ncc(NC(=O)Nc2cnc3cc(Cl)nn3c2C2CCC(C)O2)cc1Cl.
What is the InChIKey of 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]urea?
The InChIKey is GGCXEDOSFQGGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N6O3/c1-9-3-4-13(29-9)16-12(8-21-15-6-14(20)25-26(15)16)24-18(27)23-10-5-11(19)17(28-2)22-7-10/h5-9,13H,3-4H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]urea?
1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]urea has a molecular weight of 437.29 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[2-chloro-7-(5-methyloxolan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]urea is sourced from PubChem (CID 118540309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).