4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile

C22H23N5O — CID 167428881

IUPAC4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile
SMILESCn1nc(C2CC2)cc1Oc1cc(C#N)ccc1-c1ccc(C(C)(C)N)cn1
InChIInChI=1S/C22H23N5O/c1-22(2,24)16-7-9-18(25-13-16)17-8-4-14(12-23)10-20(17)28-21-11-19(15-5-6-15)26-27(21)3/h4,7-11,13,15H,5-6,24H2,1-3H3
InChIKeyDVCKJIOIRKHMCZ-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.22
Rot. Bonds5

About 4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile

4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile (PubChem CID 167428881) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile
PubChem CID167428881
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile
SMILESCn1nc(C2CC2)cc1Oc1cc(C#N)ccc1-c1ccc(C(C)(C)N)cn1
InChIInChI=1S/C22H23N5O/c1-22(2,24)16-7-9-18(25-13-16)17-8-4-14(12-23)10-20(17)28-21-11-19(15-5-6-15)26-27(21)3/h4,7-11,13,15H,5-6,24H2,1-3H3
InChIKeyDVCKJIOIRKHMCZ-UHFFFAOYSA-N
XLogP4.22
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile?
The IUPAC name of 4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile (CID 167428881) is 4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile.
What is the SMILES notation for 4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile?
The canonical SMILES for 4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile is Cn1nc(C2CC2)cc1Oc1cc(C#N)ccc1-c1ccc(C(C)(C)N)cn1.
What is the InChIKey of 4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile?
The InChIKey is DVCKJIOIRKHMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-22(2,24)16-7-9-18(25-13-16)17-8-4-14(12-23)10-20(17)28-21-11-19(15-5-6-15)26-27(21)3/h4,7-11,13,15H,5-6,24H2,1-3H3.
What are the key properties of 4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile?
4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile has a molecular weight of 373.46 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile is sourced from PubChem (CID 167428881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).