3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol

C22H21N5O — CID 95213134

IUPAC3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
SMILESOc1cccc([C@H]2c3nc[nH]c3CCN2Cc2ccnn2-c2ccccc2)c1
InChIInChI=1S/C22H21N5O/c28-19-8-4-5-16(13-19)22-21-20(23-15-24-21)10-12-26(22)14-18-9-11-25-27(18)17-6-2-1-3-7-17/h1-9,11,13,15,22,28H,10,12,14H2,(H,23,24)/t22-/m0/s1
InChIKeyLAROOFRHVBAPSF-QFIPXVFZSA-N
MW371.44 g/mol
LogP3.45
Rot. Bonds4

About 3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol

3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol (PubChem CID 95213134) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
PubChem CID95213134
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
SMILESOc1cccc([C@H]2c3nc[nH]c3CCN2Cc2ccnn2-c2ccccc2)c1
InChIInChI=1S/C22H21N5O/c28-19-8-4-5-16(13-19)22-21-20(23-15-24-21)10-12-26(22)14-18-9-11-25-27(18)17-6-2-1-3-7-17/h1-9,11,13,15,22,28H,10,12,14H2,(H,23,24)/t22-/m0/s1
InChIKeyLAROOFRHVBAPSF-QFIPXVFZSA-N
XLogP3.45
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?
The IUPAC name of 3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol (CID 95213134) is 3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol.
What is the SMILES notation for 3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?
The canonical SMILES for 3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol is Oc1cccc([C@H]2c3nc[nH]c3CCN2Cc2ccnn2-c2ccccc2)c1.
What is the InChIKey of 3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?
The InChIKey is LAROOFRHVBAPSF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H21N5O/c28-19-8-4-5-16(13-19)22-21-20(23-15-24-21)10-12-26(22)14-18-9-11-25-27(18)17-6-2-1-3-7-17/h1-9,11,13,15,22,28H,10,12,14H2,(H,23,24)/t22-/m0/s1.
What are the key properties of 3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?
3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol has a molecular weight of 371.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol is sourced from PubChem (CID 95213134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).