1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea

C20H19F2N5O2 — CID 126772268

IUPAC1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCc1nc2n(n1)CCCC2NC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1
InChIInChI=1S/C20H19F2N5O2/c1-12-23-19-17(6-4-8-27(19)26-12)25-20(28)24-16-5-2-3-7-18(16)29-15-10-13(21)9-14(22)11-15/h2-3,5,7,9-11,17H,4,6,8H2,1H3,(H2,24,25,28)
InChIKeyTWCPFHIUGCRAMR-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.31
Rot. Bonds4

About 1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea

1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (PubChem CID 126772268) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
PubChem CID126772268
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCc1nc2n(n1)CCCC2NC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1
InChIInChI=1S/C20H19F2N5O2/c1-12-23-19-17(6-4-8-27(19)26-12)25-20(28)24-16-5-2-3-7-18(16)29-15-10-13(21)9-14(22)11-15/h2-3,5,7,9-11,17H,4,6,8H2,1H3,(H2,24,25,28)
InChIKeyTWCPFHIUGCRAMR-UHFFFAOYSA-N
XLogP4.31
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 136513308
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 111930602
(3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide
CID 97102461
N-[2-(3,5-difluorophenoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016234
1-[3-(ethylsulfanylmethyl)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 71923246
1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 96990190
N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75520270
1-(2-cyano-4-fluorophenyl)-3-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97054284
N-[2-(3,5-difluorophenoxy)phenyl]-4-methylmorpholine-2-carboxamide
CID 71919695
1-[(1S)-cyclohex-3-en-1-yl]-3-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 96995510
1-[(1S)-cyclohex-3-en-1-yl]-3-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 96995511
1-(3-cyano-4-methylthiophen-2-yl)-3-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 124724879

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The IUPAC name of 1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (CID 126772268) is 1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.
What is the SMILES notation for 1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The canonical SMILES for 1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is Cc1nc2n(n1)CCCC2NC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1.
What is the InChIKey of 1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The InChIKey is TWCPFHIUGCRAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-12-23-19-17(6-4-8-27(19)26-12)25-20(28)24-16-5-2-3-7-18(16)29-15-10-13(21)9-14(22)11-15/h2-3,5,7,9-11,17H,4,6,8H2,1H3,(H2,24,25,28).
What are the key properties of 1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea has a molecular weight of 399.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is sourced from PubChem (CID 126772268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).