1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea

C17H16F2N6O — CID 53236444

IUPAC1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
SMILESCn1cc(-c2cnc3c(NC(=O)NC4CC(F)(F)C4)ccnc3c2)cn1
InChIInChI=1S/C17H16F2N6O/c1-25-9-11(8-22-25)10-4-14-15(21-7-10)13(2-3-20-14)24-16(26)23-12-5-17(18,19)6-12/h2-4,7-9,12H,5-6H2,1H3,(H2,20,23,24,26)
InChIKeyWGOQGGAGODRINT-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.95
Rot. Bonds3

About 1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea

1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea (PubChem CID 53236444) has the molecular formula C17H16F2N6O and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
PubChem CID53236444
Molecular FormulaC17H16F2N6O
Molecular Weight358.35 g/mol
Exact Mass358.14
IUPAC Name1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
SMILESCn1cc(-c2cnc3c(NC(=O)NC4CC(F)(F)C4)ccnc3c2)cn1
InChIInChI=1S/C17H16F2N6O/c1-25-9-11(8-22-25)10-4-14-15(21-7-10)13(2-3-20-14)24-16(26)23-12-5-17(18,19)6-12/h2-4,7-9,12H,5-6H2,1H3,(H2,20,23,24,26)
InChIKeyWGOQGGAGODRINT-UHFFFAOYSA-N
XLogP2.95
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclobutyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
CID 53236207
1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea
CID 53236902
1-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(4-phenylbutyl)urea
CID 53236441
(2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide
CID 138591844
4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138588832
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide
CID 138590612
1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 71249446
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
(2S)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-morpholin-4-ylpropanamide
CID 138589378
N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-carboxamide
CID 122184262
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-4-carboxamide
CID 138588684
1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138587793

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea (CID 53236444) is 1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea is Cn1cc(-c2cnc3c(NC(=O)NC4CC(F)(F)C4)ccnc3c2)cn1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea?
The InChIKey is WGOQGGAGODRINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O/c1-25-9-11(8-22-25)10-4-14-15(21-7-10)13(2-3-20-14)24-16(26)23-12-5-17(18,19)6-12/h2-4,7-9,12H,5-6H2,1H3,(H2,20,23,24,26).
What are the key properties of 1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea?
1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea has a molecular weight of 358.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea is sourced from PubChem (CID 53236444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).