3-[3-[(2,2-difluorocyclopropyl)methyl]benzimidazol-5-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

C22H21F2N5O2 — CID 66828859

IUPAC3-[3-[(2,2-difluorocyclopropyl)methyl]benzimidazol-5-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESFC1(F)CC1Cn1cnc2ccc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cc21
InChIInChI=1S/C22H21F2N5O2/c23-22(24)10-14(22)11-29-12-26-16-2-1-13(9-18(16)29)20-19-17(27-28-20)3-6-25-21(19)31-15-4-7-30-8-5-15/h1-3,6,9,12,14-15H,4-5,7-8,10-11H2,(H,27,28)
InChIKeyWIHZUKHTSFNNME-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.19
Rot. Bonds5

About 3-[3-[(2,2-difluorocyclopropyl)methyl]benzimidazol-5-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

3-[3-[(2,2-difluorocyclopropyl)methyl]benzimidazol-5-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 66828859) has the molecular formula C22H21F2N5O2 and a molecular weight of 425.44 g/mol. Its IUPAC name is 3-[3-[(2,2-difluorocyclopropyl)methyl]benzimidazol-5-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[3-[(2,2-difluorocyclopropyl)methyl]benzimidazol-5-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
PubChem CID66828859
Molecular FormulaC22H21F2N5O2
Molecular Weight425.44 g/mol
Exact Mass425.17
IUPAC Name3-[3-[(2,2-difluorocyclopropyl)methyl]benzimidazol-5-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESFC1(F)CC1Cn1cnc2ccc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cc21
InChIInChI=1S/C22H21F2N5O2/c23-22(24)10-14(22)11-29-12-26-16-2-1-13(9-18(16)29)20-19-17(27-28-20)3-6-25-21(19)31-15-4-7-30-8-5-15/h1-3,6,9,12,14-15H,4-5,7-8,10-11H2,(H,27,28)
InChIKeyWIHZUKHTSFNNME-UHFFFAOYSA-N
XLogP4.19
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2,2-difluorocyclopropyl)methyl]benzimidazol-5-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[3-[(2,2-difluorocyclopropyl)methyl]benzimidazol-5-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (CID 66828859) is 3-[3-[(2,2-difluorocyclopropyl)methyl]benzimidazol-5-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[3-[(2,2-difluorocyclopropyl)methyl]benzimidazol-5-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[3-[(2,2-difluorocyclopropyl)methyl]benzimidazol-5-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is FC1(F)CC1Cn1cnc2ccc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cc21.
What is the InChIKey of 3-[3-[(2,2-difluorocyclopropyl)methyl]benzimidazol-5-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is WIHZUKHTSFNNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O2/c23-22(24)10-14(22)11-29-12-26-16-2-1-13(9-18(16)29)20-19-17(27-28-20)3-6-25-21(19)31-15-4-7-30-8-5-15/h1-3,6,9,12,14-15H,4-5,7-8,10-11H2,(H,27,28).
What are the key properties of 3-[3-[(2,2-difluorocyclopropyl)methyl]benzimidazol-5-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
3-[3-[(2,2-difluorocyclopropyl)methyl]benzimidazol-5-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 425.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2,2-difluorocyclopropyl)methyl]benzimidazol-5-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 66828859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).