1-[2-chloro-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea

C19H11ClF3N9O2 — CID 118540312

IUPAC1-[2-chloro-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESO=C(Nc1cnc(-n2nccn2)c(C(F)(F)F)c1)Nc1cnc2cc(Cl)nn2c1-c1ccco1
InChIInChI=1S/C19H11ClF3N9O2/c20-14-7-15-24-9-12(16(31(15)30-14)13-2-1-5-34-13)29-18(33)28-10-6-11(19(21,22)23)17(25-8-10)32-26-3-4-27-32/h1-9H,(H2,28,29,33)
InChIKeyMOKQSXBNLBHPHS-UHFFFAOYSA-N
MW489.81 g/mol
LogP4.28
Rot. Bonds4

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

1-[2-chloro-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 118540312) has the molecular formula C19H11ClF3N9O2 and a molecular weight of 489.81 g/mol. Its IUPAC name is 1-[2-chloro-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-chloro-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID118540312
Molecular FormulaC19H11ClF3N9O2
Molecular Weight489.81 g/mol
Exact Mass489.07
IUPAC Name1-[2-chloro-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESO=C(Nc1cnc(-n2nccn2)c(C(F)(F)F)c1)Nc1cnc2cc(Cl)nn2c1-c1ccco1
InChIInChI=1S/C19H11ClF3N9O2/c20-14-7-15-24-9-12(16(31(15)30-14)13-2-1-5-34-13)29-18(33)28-10-6-11(19(21,22)23)17(25-8-10)32-26-3-4-27-32/h1-9H,(H2,28,29,33)
InChIKeyMOKQSXBNLBHPHS-UHFFFAOYSA-N
XLogP4.28
TPSA128.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.81
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-[2-chloro-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea (CID 118540312) is 1-[2-chloro-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[2-chloro-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-[2-chloro-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea is O=C(Nc1cnc(-n2nccn2)c(C(F)(F)F)c1)Nc1cnc2cc(Cl)nn2c1-c1ccco1.
What is the InChIKey of 1-[2-chloro-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is MOKQSXBNLBHPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N9O2/c20-14-7-15-24-9-12(16(31(15)30-14)13-2-1-5-34-13)29-18(33)28-10-6-11(19(21,22)23)17(25-8-10)32-26-3-4-27-32/h1-9H,(H2,28,29,33).
What are the key properties of 1-[2-chloro-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
1-[2-chloro-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 489.81 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 118540312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).