3-[(4R)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol

C18H20ClN5O — CID 95197675

IUPAC3-[(4R)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
SMILESCc1nn(C)c(Cl)c1CN1CCc2[nH]cnc2[C@H]1c1cccc(O)c1
InChIInChI=1S/C18H20ClN5O/c1-11-14(18(19)23(2)22-11)9-24-7-6-15-16(21-10-20-15)17(24)12-4-3-5-13(25)8-12/h3-5,8,10,17,25H,6-7,9H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyQFHYVXHJMVHMJX-QGZVFWFLSA-N
MW357.85 g/mol
LogP2.96
Rot. Bonds3

About 3-[(4R)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol

3-[(4R)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol (PubChem CID 95197675) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 3-[(4R)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-[(4R)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
PubChem CID95197675
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name3-[(4R)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
SMILESCc1nn(C)c(Cl)c1CN1CCc2[nH]cnc2[C@H]1c1cccc(O)c1
InChIInChI=1S/C18H20ClN5O/c1-11-14(18(19)23(2)22-11)9-24-7-6-15-16(21-10-20-15)17(24)12-4-3-5-13(25)8-12/h3-5,8,10,17,25H,6-7,9H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyQFHYVXHJMVHMJX-QGZVFWFLSA-N
XLogP2.96
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?
The IUPAC name of 3-[(4R)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol (CID 95197675) is 3-[(4R)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol.
What is the SMILES notation for 3-[(4R)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?
The canonical SMILES for 3-[(4R)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol is Cc1nn(C)c(Cl)c1CN1CCc2[nH]cnc2[C@H]1c1cccc(O)c1.
What is the InChIKey of 3-[(4R)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?
The InChIKey is QFHYVXHJMVHMJX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-11-14(18(19)23(2)22-11)9-24-7-6-15-16(21-10-20-15)17(24)12-4-3-5-13(25)8-12/h3-5,8,10,17,25H,6-7,9H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of 3-[(4R)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?
3-[(4R)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol has a molecular weight of 357.85 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol is sourced from PubChem (CID 95197675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).