N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide

C22H24N6O2 — CID 154654432

IUPACN-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3[nH]ncc3/C=C/c3cccnc3)cn2)CC1
InChIInChI=1S/C22H24N6O2/c1-28-11-8-19(9-12-28)30-20-7-6-18(15-24-20)26-22(29)21-17(14-25-27-21)5-4-16-3-2-10-23-13-16/h2-7,10,13-15,19H,8-9,11-12H2,1H3,(H,25,27)(H,26,29)/b5-4+
InChIKeyZFHFKZKNZMYUGE-SNAWJCMRSA-N
MW404.47 g/mol
LogP3.10
Rot. Bonds6

About N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide

N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide (PubChem CID 154654432) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide
PubChem CID154654432
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3[nH]ncc3/C=C/c3cccnc3)cn2)CC1
InChIInChI=1S/C22H24N6O2/c1-28-11-8-19(9-12-28)30-20-7-6-18(15-24-20)26-22(29)21-17(14-25-27-21)5-4-16-3-2-10-23-13-16/h2-7,10,13-15,19H,8-9,11-12H2,1H3,(H,25,27)(H,26,29)/b5-4+
InChIKeyZFHFKZKNZMYUGE-SNAWJCMRSA-N
XLogP3.10
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

Teplinovivint
CID 89451003
5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-(pyridin-2-ylmethyl)-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135520505
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 118381715
US10022354, Example 52
CID 121279730
5-[5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 118381130
6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431454
6-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431455
4-[2-(5-piperidin-4-yloxy-3-pyridinyl)ethynyl]-N-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 154654392
1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)-4-piperidinecarboxamide
CID 24792988
N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46883829
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 49792638
5-(5-acetyl-2-butoxy-3-pyridinyl)-3-propyl-2-(pyridin-2-ylmethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 136043740

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide (CID 154654432) is N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide is CN1CCC(Oc2ccc(NC(=O)c3[nH]ncc3/C=C/c3cccnc3)cn2)CC1.
What is the InChIKey of N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ZFHFKZKNZMYUGE-SNAWJCMRSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-28-11-8-19(9-12-28)30-20-7-6-18(15-24-20)26-22(29)21-17(14-25-27-21)5-4-16-3-2-10-23-13-16/h2-7,10,13-15,19H,8-9,11-12H2,1H3,(H,25,27)(H,26,29)/b5-4+.
What are the key properties of N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide?
N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 154654432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).