3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxy-4-[5-(piperazine-1-carbonyl)-2-pyridinyl]benzonitrile

C24H24N6O2 — CID 167429755

IUPAC3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxy-4-[5-(piperazine-1-carbonyl)-2-pyridinyl]benzonitrile
SMILESCn1nc(C2CC2)cc1Oc1cc(C#N)ccc1-c1ccc(C(=O)N2CCNCC2)cn1
InChIInChI=1S/C24H24N6O2/c1-29-23(13-21(28-29)17-3-4-17)32-22-12-16(14-25)2-6-19(22)20-7-5-18(15-27-20)24(31)30-10-8-26-9-11-30/h2,5-7,12-13,15,17,26H,3-4,8-11H2,1H3
InChIKeyBLCMQHMIPFFFBD-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.07
Rot. Bonds5

About 3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxy-4-[5-(piperazine-1-carbonyl)-2-pyridinyl]benzonitrile

3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxy-4-[5-(piperazine-1-carbonyl)-2-pyridinyl]benzonitrile (PubChem CID 167429755) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxy-4-[5-(piperazine-1-carbonyl)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxy-4-[5-(piperazine-1-carbonyl)-2-pyridinyl]benzonitrile
PubChem CID167429755
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxy-4-[5-(piperazine-1-carbonyl)-2-pyridinyl]benzonitrile
SMILESCn1nc(C2CC2)cc1Oc1cc(C#N)ccc1-c1ccc(C(=O)N2CCNCC2)cn1
InChIInChI=1S/C24H24N6O2/c1-29-23(13-21(28-29)17-3-4-17)32-22-12-16(14-25)2-6-19(22)20-7-5-18(15-27-20)24(31)30-10-8-26-9-11-30/h2,5-7,12-13,15,17,26H,3-4,8-11H2,1H3
InChIKeyBLCMQHMIPFFFBD-UHFFFAOYSA-N
XLogP3.07
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile
CID 167428881
(2S)-2-amino-3-[6-[4-cyano-2-(3-cyclopropyl-1-methylpyrazol-5-yl)oxyphenyl]-3-pyridinyl]propanoic acid
CID 167429921
methyl 2-[6-[4-cyano-2-(3-cyclopropyl-1-methylpyrazol-5-yl)oxyphenyl]-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 156891406
4-[5-(2-amino-1-hydroxyethyl)-2-pyridinyl]-3-(3-cyclobutyl-1-methylpyrazol-5-yl)oxybenzonitrile
CID 167429049
4-[4-(2-aminoethyl)phenyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile
CID 167429583
4-[5-(aminomethyl)-2-pyridinyl]-3-(1-methyl-3-propylpyrazol-5-yl)oxybenzonitrile
CID 156891478
4-[5-(2-aminoethyl)-2-pyridinyl]-3-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]oxybenzonitrile
CID 156891474
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
4-[5-(aminomethyl)pyrimidin-2-yl]-3-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]oxybenzonitrile
CID 167429866
4-[5-[(1S)-2-amino-1-fluoroethyl]-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile
CID 167429425
4-[5-(2-amino-2-methylpropyl)-2-pyridinyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)oxybenzonitrile
CID 167429982
5-[2-[5-(aminomethyl)pyrimidin-2-yl]-5-cyanophenoxy]-N,N,1-trimethylpyrazole-3-carboxamide
CID 167429456

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxy-4-[5-(piperazine-1-carbonyl)-2-pyridinyl]benzonitrile?
The IUPAC name of 3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxy-4-[5-(piperazine-1-carbonyl)-2-pyridinyl]benzonitrile (CID 167429755) is 3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxy-4-[5-(piperazine-1-carbonyl)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxy-4-[5-(piperazine-1-carbonyl)-2-pyridinyl]benzonitrile?
The canonical SMILES for 3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxy-4-[5-(piperazine-1-carbonyl)-2-pyridinyl]benzonitrile is Cn1nc(C2CC2)cc1Oc1cc(C#N)ccc1-c1ccc(C(=O)N2CCNCC2)cn1.
What is the InChIKey of 3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxy-4-[5-(piperazine-1-carbonyl)-2-pyridinyl]benzonitrile?
The InChIKey is BLCMQHMIPFFFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-29-23(13-21(28-29)17-3-4-17)32-22-12-16(14-25)2-6-19(22)20-7-5-18(15-27-20)24(31)30-10-8-26-9-11-30/h2,5-7,12-13,15,17,26H,3-4,8-11H2,1H3.
What are the key properties of 3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxy-4-[5-(piperazine-1-carbonyl)-2-pyridinyl]benzonitrile?
3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxy-4-[5-(piperazine-1-carbonyl)-2-pyridinyl]benzonitrile has a molecular weight of 428.50 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxy-4-[5-(piperazine-1-carbonyl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 167429755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).