(4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C18H18ClF2N5 — CID 95223626

IUPAC(4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1nn(C)c(Cl)c1CN1CCc2[nH]cnc2[C@@H]1c1c(F)cccc1F
InChIInChI=1S/C18H18ClF2N5/c1-10-11(18(19)25(2)24-10)8-26-7-6-14-16(23-9-22-14)17(26)15-12(20)4-3-5-13(15)21/h3-5,9,17H,6-8H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyHOZQYEVRGRCRCJ-KRWDZBQOSA-N
MW377.83 g/mol
LogP3.53
Rot. Bonds3

About (4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95223626) has the molecular formula C18H18ClF2N5 and a molecular weight of 377.83 g/mol. Its IUPAC name is (4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95223626
Molecular FormulaC18H18ClF2N5
Molecular Weight377.83 g/mol
Exact Mass377.12
IUPAC Name(4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1nn(C)c(Cl)c1CN1CCc2[nH]cnc2[C@@H]1c1c(F)cccc1F
InChIInChI=1S/C18H18ClF2N5/c1-10-11(18(19)25(2)24-10)8-26-7-6-14-16(23-9-22-14)17(26)15-12(20)4-3-5-13(15)21/h3-5,9,17H,6-8H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyHOZQYEVRGRCRCJ-KRWDZBQOSA-N
XLogP3.53
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 131962420
4-(2-chloro-4-fluorophenyl)-5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56722473
5-[(3,4-difluorophenyl)methyl]-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56714216
4-(3,4-dichlorophenyl)-5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56901709
3-[(1R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol
CID 31015986
5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 70774122
(4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95889407
5-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56877054
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine
CID 60795954
2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol
CID 95210798
5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 70721371

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95223626) is (4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1nn(C)c(Cl)c1CN1CCc2[nH]cnc2[C@@H]1c1c(F)cccc1F.
What is the InChIKey of (4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is HOZQYEVRGRCRCJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18ClF2N5/c1-10-11(18(19)25(2)24-10)8-26-7-6-14-16(23-9-22-14)17(26)15-12(20)4-3-5-13(15)21/h3-5,9,17H,6-8H2,1-2H3,(H,22,23)/t17-/m0/s1.
What are the key properties of (4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 377.83 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95223626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).