(2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol

C19H29N5O — CID 95147883

IUPAC(2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol
SMILESCC[C@H](O)Cn1cc(C2=CCN(Cc3nccn3C(C)C)CC2)cn1
InChIInChI=1S/C19H29N5O/c1-4-18(25)13-23-12-17(11-21-23)16-5-8-22(9-6-16)14-19-20-7-10-24(19)15(2)3/h5,7,10-12,15,18,25H,4,6,8-9,13-14H2,1-3H3/t18-/m0/s1
InChIKeyNDMIHLHHCOOLGT-SFHVURJKSA-N
MW343.48 g/mol
LogP2.72
Rot. Bonds7

About (2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol

(2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol (PubChem CID 95147883) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is (2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol
PubChem CID95147883
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name(2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol
SMILESCC[C@H](O)Cn1cc(C2=CCN(Cc3nccn3C(C)C)CC2)cn1
InChIInChI=1S/C19H29N5O/c1-4-18(25)13-23-12-17(11-21-23)16-5-8-22(9-6-16)14-19-20-7-10-24(19)15(2)3/h5,7,10-12,15,18,25H,4,6,8-9,13-14H2,1-3H3/t18-/m0/s1
InChIKeyNDMIHLHHCOOLGT-SFHVURJKSA-N
XLogP2.72
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol with MolForge

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Related Compounds

(2S)-1-[4-[1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol
CID 95132813
(2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 125140095
4-(1-butylpyrazol-4-yl)-1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine
CID 56700573
1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
CID 56881830
(4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol
CID 111111110
(2S)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95314172
1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine
CID 56710490
4-[[4-(1-pyridin-2-ylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid
CID 50952675
2-[4-[1-[(3-cyclohexylimidazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]ethanol
CID 50981118
1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone
CID 97328998
2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 166303611
2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 118768197

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol?
The IUPAC name of (2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol (CID 95147883) is (2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol.
What is the SMILES notation for (2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol?
The canonical SMILES for (2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol is CC[C@H](O)Cn1cc(C2=CCN(Cc3nccn3C(C)C)CC2)cn1.
What is the InChIKey of (2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol?
The InChIKey is NDMIHLHHCOOLGT-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N5O/c1-4-18(25)13-23-12-17(11-21-23)16-5-8-22(9-6-16)14-19-20-7-10-24(19)15(2)3/h5,7,10-12,15,18,25H,4,6,8-9,13-14H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol?
(2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol has a molecular weight of 343.48 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]butan-2-ol is sourced from PubChem (CID 95147883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).