2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide

C24H32FN5O — CID 95067165

IUPAC2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide
SMILESC[C@H]1CCCCN1CCNC(=O)CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C24H32FN5O/c1-19-4-2-3-12-29(19)15-11-26-24(31)18-28-13-9-20(10-14-28)21-16-27-30(17-21)23-7-5-22(25)6-8-23/h5-9,16-17,19H,2-4,10-15,18H2,1H3,(H,26,31)/t19-/m0/s1
InChIKeyRZHLAEMEXXGRMU-IBGZPJMESA-N
MW425.55 g/mol
LogP3.09
Rot. Bonds7

About 2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide

2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide (PubChem CID 95067165) has the molecular formula C24H32FN5O and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide
PubChem CID95067165
Molecular FormulaC24H32FN5O
Molecular Weight425.55 g/mol
Exact Mass425.26
IUPAC Name2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide
SMILESC[C@H]1CCCCN1CCNC(=O)CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C24H32FN5O/c1-19-4-2-3-12-29(19)15-11-26-24(31)18-28-13-9-20(10-14-28)21-16-27-30(17-21)23-7-5-22(25)6-8-23/h5-9,16-17,19H,2-4,10-15,18H2,1H3,(H,26,31)/t19-/m0/s1
InChIKeyRZHLAEMEXXGRMU-IBGZPJMESA-N
XLogP3.09
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide (CID 95067165) is 2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide is C[C@H]1CCCCN1CCNC(=O)CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1.
What is the InChIKey of 2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide?
The InChIKey is RZHLAEMEXXGRMU-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32FN5O/c1-19-4-2-3-12-29(19)15-11-26-24(31)18-28-13-9-20(10-14-28)21-16-27-30(17-21)23-7-5-22(25)6-8-23/h5-9,16-17,19H,2-4,10-15,18H2,1H3,(H,26,31)/t19-/m0/s1.
What are the key properties of 2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide?
2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide has a molecular weight of 425.55 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 95067165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).