4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide

C22H25N5O2 — CID 97344523

IUPAC4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cn[nH]c2[C@@H]2CCCN(Cc3ccccn3)C2)cc1
InChIInChI=1S/C22H25N5O2/c1-29-19-9-7-16(8-10-19)22(28)25-20-13-24-26-21(20)17-5-4-12-27(14-17)15-18-6-2-3-11-23-18/h2-3,6-11,13,17H,4-5,12,14-15H2,1H3,(H,24,26)(H,25,28)/t17-/m1/s1
InChIKeyRHNMLVVCBDDTDK-QGZVFWFLSA-N
MW391.48 g/mol
LogP3.45
Rot. Bonds6

About 4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide

4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 97344523) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
PubChem CID97344523
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cn[nH]c2[C@@H]2CCCN(Cc3ccccn3)C2)cc1
InChIInChI=1S/C22H25N5O2/c1-29-19-9-7-16(8-10-19)22(28)25-20-13-24-26-21(20)17-5-4-12-27(14-17)15-18-6-2-3-11-23-18/h2-3,6-11,13,17H,4-5,12,14-15H2,1H3,(H,24,26)(H,25,28)/t17-/m1/s1
InChIKeyRHNMLVVCBDDTDK-QGZVFWFLSA-N
XLogP3.45
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97344525
N-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide
CID 97344503
N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75474491
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
N-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-4-yl]benzamide
CID 146088409
1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474473
N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343253
N-[5-[1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473815
N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343239
6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 125001236
N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97344338
N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343961

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide (CID 97344523) is 4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide is COc1ccc(C(=O)Nc2cn[nH]c2[C@@H]2CCCN(Cc3ccccn3)C2)cc1.
What is the InChIKey of 4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The InChIKey is RHNMLVVCBDDTDK-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-19-9-7-16(8-10-19)22(28)25-20-13-24-26-21(20)17-5-4-12-27(14-17)15-18-6-2-3-11-23-18/h2-3,6-11,13,17H,4-5,12,14-15H2,1H3,(H,24,26)(H,25,28)/t17-/m1/s1.
What are the key properties of 4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 391.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 97344523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).