N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

C26H30N6O — CID 124955098

IUPACN-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCc1nc2ccccn2c1CN1CCC[C@@H](c2[nH]ncc2C(=O)N(C)Cc2ccccc2)C1
InChIInChI=1S/C26H30N6O/c1-19-23(32-14-7-6-12-24(32)28-19)18-31-13-8-11-21(17-31)25-22(15-27-29-25)26(33)30(2)16-20-9-4-3-5-10-20/h3-7,9-10,12,14-15,21H,8,11,13,16-18H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyFHHNYKADWKIOFZ-OAQYLSRUSA-N
MW442.57 g/mol
LogP4.02
Rot. Bonds6

About N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 124955098) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID124955098
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC NameN-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCc1nc2ccccn2c1CN1CCC[C@@H](c2[nH]ncc2C(=O)N(C)Cc2ccccc2)C1
InChIInChI=1S/C26H30N6O/c1-19-23(32-14-7-6-12-24(32)28-19)18-31-13-8-11-21(17-31)25-22(15-27-29-25)26(33)30(2)16-20-9-4-3-5-10-20/h3-7,9-10,12,14-15,21H,8,11,13,16-18H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyFHHNYKADWKIOFZ-OAQYLSRUSA-N
XLogP4.02
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (CID 124955098) is N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is Cc1nc2ccccn2c1CN1CCC[C@@H](c2[nH]ncc2C(=O)N(C)Cc2ccccc2)C1.
What is the InChIKey of N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is FHHNYKADWKIOFZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H30N6O/c1-19-23(32-14-7-6-12-24(32)28-19)18-31-13-8-11-21(17-31)25-22(15-27-29-25)26(33)30(2)16-20-9-4-3-5-10-20/h3-7,9-10,12,14-15,21H,8,11,13,16-18H2,1-2H3,(H,27,29)/t21-/m1/s1.
What are the key properties of N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 442.57 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 124955098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).