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

C17H15F2N7O3 — CID 142491629

IUPAC1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
SMILESCOC(C)c1c(NC(=O)Nc2cnc(OC(F)F)c(C#N)c2)cnc2ccnn12
InChIInChI=1S/C17H15F2N7O3/c1-9(28-2)14-12(8-21-13-3-4-23-26(13)14)25-17(27)24-11-5-10(6-20)15(22-7-11)29-16(18)19/h3-5,7-9,16H,1-2H3,(H2,24,25,27)
InChIKeyKWEIWVBJWWAQLU-UHFFFAOYSA-N
MW403.35 g/mol
LogP2.95
Rot. Bonds6

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

1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea (PubChem CID 142491629) has the molecular formula C17H15F2N7O3 and a molecular weight of 403.35 g/mol. Its IUPAC name is 1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea.

Molecular Properties

Compound Name1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
PubChem CID142491629
Molecular FormulaC17H15F2N7O3
Molecular Weight403.35 g/mol
Exact Mass403.12
IUPAC Name1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
SMILESCOC(C)c1c(NC(=O)Nc2cnc(OC(F)F)c(C#N)c2)cnc2ccnn12
InChIInChI=1S/C17H15F2N7O3/c1-9(28-2)14-12(8-21-13-3-4-23-26(13)14)25-17(27)24-11-5-10(6-20)15(22-7-11)29-16(18)19/h3-5,7-9,16H,1-2H3,(H2,24,25,27)
InChIKeyKWEIWVBJWWAQLU-UHFFFAOYSA-N
XLogP2.95
TPSA126.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
CID 129072366
1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea
CID 166769830
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-(5-cyano-3-pyridinyl)-3-[7-(1-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea
CID 129117284
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea
CID 156772717
1-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-3-(5-cyano-6-methoxy-3-pyridinyl)urea
CID 155202073
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[5-cyano-4-[(1S)-1-methoxyethyl]-3-pyridinyl]urea
CID 155708210
1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(difluoromethyl)-4-pyridinyl]urea
CID 118540207
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea
CID 156772560
3-chloro-5-[[2-fluoro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]pyridine-2-carboxamide
CID 129117266
N-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-11-fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclopropane]-5-carboxamide
CID 164600545

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea?
The IUPAC name of 1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea (CID 142491629) is 1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea.
What is the SMILES notation for 1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea?
The canonical SMILES for 1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea is COC(C)c1c(NC(=O)Nc2cnc(OC(F)F)c(C#N)c2)cnc2ccnn12.
What is the InChIKey of 1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea?
The InChIKey is KWEIWVBJWWAQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N7O3/c1-9(28-2)14-12(8-21-13-3-4-23-26(13)14)25-17(27)24-11-5-10(6-20)15(22-7-11)29-16(18)19/h3-5,7-9,16H,1-2H3,(H2,24,25,27).
What are the key properties of 1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea?
1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea has a molecular weight of 403.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea is sourced from PubChem (CID 142491629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).