3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine

C19H20F2N4O2 — CID 148567372

IUPAC3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine
SMILESFC1(F)CC1Cn1cc(C2=NCc3ccnc(OC4CCOCC4)c32)cn1
InChIInChI=1S/C19H20F2N4O2/c20-19(21)7-14(19)11-25-10-13(9-24-25)17-16-12(8-23-17)1-4-22-18(16)27-15-2-5-26-6-3-15/h1,4,9-10,14-15H,2-3,5-8,11H2
InChIKeyMWEOSGRCWSHCGY-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.84
Rot. Bonds5

About 3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine

3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine (PubChem CID 148567372) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is 3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine
PubChem CID148567372
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC Name3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine
SMILESFC1(F)CC1Cn1cc(C2=NCc3ccnc(OC4CCOCC4)c32)cn1
InChIInChI=1S/C19H20F2N4O2/c20-19(21)7-14(19)11-25-10-13(9-24-25)17-16-12(8-23-17)1-4-22-18(16)27-15-2-5-26-6-3-15/h1,4,9-10,14-15H,2-3,5-8,11H2
InChIKeyMWEOSGRCWSHCGY-UHFFFAOYSA-N
XLogP2.84
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine (CID 148567372) is 3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine is FC1(F)CC1Cn1cc(C2=NCc3ccnc(OC4CCOCC4)c32)cn1.
What is the InChIKey of 3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is MWEOSGRCWSHCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c20-19(21)7-14(19)11-25-10-13(9-24-25)17-16-12(8-23-17)1-4-22-18(16)27-15-2-5-26-6-3-15/h1,4,9-10,14-15H,2-3,5-8,11H2.
What are the key properties of 3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine?
3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 374.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 148567372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).