4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile

C23H17F2N9O — CID 172727064

IUPAC4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile
SMILESC[C@@H](Cn1cnnn1)Oc1cccc(-c2ccc3ncn(-c4cc(C(F)F)ccc4C#N)c3n2)n1
InChIInChI=1S/C23H17F2N9O/c1-14(11-33-13-28-31-32-33)35-21-4-2-3-17(29-21)18-7-8-19-23(30-18)34(12-27-19)20-9-15(22(24)25)5-6-16(20)10-26/h2-9,12-14,22H,11H2,1H3/t14-/m0/s1
InChIKeyHHEBHSNHOCGOCD-AWEZNQCLSA-N
MW473.45 g/mol
LogP3.75
Rot. Bonds7

About 4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile

4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile (PubChem CID 172727064) has the molecular formula C23H17F2N9O and a molecular weight of 473.45 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile
PubChem CID172727064
Molecular FormulaC23H17F2N9O
Molecular Weight473.45 g/mol
Exact Mass473.15
IUPAC Name4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile
SMILESC[C@@H](Cn1cnnn1)Oc1cccc(-c2ccc3ncn(-c4cc(C(F)F)ccc4C#N)c3n2)n1
InChIInChI=1S/C23H17F2N9O/c1-14(11-33-13-28-31-32-33)35-21-4-2-3-17(29-21)18-7-8-19-23(30-18)34(12-27-19)20-9-15(22(24)25)5-6-16(20)10-26/h2-9,12-14,22H,11H2,1H3/t14-/m0/s1
InChIKeyHHEBHSNHOCGOCD-AWEZNQCLSA-N
XLogP3.75
TPSA120.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile?
The IUPAC name of 4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile (CID 172727064) is 4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile.
What is the SMILES notation for 4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile?
The canonical SMILES for 4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile is C[C@@H](Cn1cnnn1)Oc1cccc(-c2ccc3ncn(-c4cc(C(F)F)ccc4C#N)c3n2)n1.
What is the InChIKey of 4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile?
The InChIKey is HHEBHSNHOCGOCD-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H17F2N9O/c1-14(11-33-13-28-31-32-33)35-21-4-2-3-17(29-21)18-7-8-19-23(30-18)34(12-27-19)20-9-15(22(24)25)5-6-16(20)10-26/h2-9,12-14,22H,11H2,1H3/t14-/m0/s1.
What are the key properties of 4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile?
4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile has a molecular weight of 473.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 172727064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).