(4,5-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C19H18F2N4O2 — CID 150916550

IUPAC(4,5-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESO=C(c1cc2c(F)c(F)ccc2[nH]1)N1CCc2[nH]nc(C3CCCO3)c2C1
InChIInChI=1S/C19H18F2N4O2/c20-12-3-4-13-10(17(12)21)8-15(22-13)19(26)25-6-5-14-11(9-25)18(24-23-14)16-2-1-7-27-16/h3-4,8,16,22H,1-2,5-7,9H2,(H,23,24)
InChIKeyLDCVWZPIMPZWNE-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.22
Rot. Bonds2

About (4,5-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

(4,5-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 150916550) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is (4,5-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4,5-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID150916550
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name(4,5-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESO=C(c1cc2c(F)c(F)ccc2[nH]1)N1CCc2[nH]nc(C3CCCO3)c2C1
InChIInChI=1S/C19H18F2N4O2/c20-12-3-4-13-10(17(12)21)8-15(22-13)19(26)25-6-5-14-11(9-25)18(24-23-14)16-2-1-7-27-16/h3-4,8,16,22H,1-2,5-7,9H2,(H,23,24)
InChIKeyLDCVWZPIMPZWNE-UHFFFAOYSA-N
XLogP3.22
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (4,5-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 150916550) is (4,5-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4,5-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (4,5-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is O=C(c1cc2c(F)c(F)ccc2[nH]1)N1CCc2[nH]nc(C3CCCO3)c2C1.
What is the InChIKey of (4,5-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is LDCVWZPIMPZWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c20-12-3-4-13-10(17(12)21)8-15(22-13)19(26)25-6-5-14-11(9-25)18(24-23-14)16-2-1-7-27-16/h3-4,8,16,22H,1-2,5-7,9H2,(H,23,24).
What are the key properties of (4,5-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
(4,5-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 372.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 150916550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).