N-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide

C24H27N5O2 — CID 118560789

IUPACN-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)Oc1nc(Cn2ccc(NC(=O)Cc3ccc(C(C)C)cc3)n2)ccc1C#N
InChIInChI=1S/C24H27N5O2/c1-16(2)19-7-5-18(6-8-19)13-23(30)27-22-11-12-29(28-22)15-21-10-9-20(14-25)24(26-21)31-17(3)4/h5-12,16-17H,13,15H2,1-4H3,(H,27,28,30)
InChIKeyZUCQDYGCBVZZQI-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.29
Rot. Bonds8

About N-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide

N-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 118560789) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID118560789
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)Oc1nc(Cn2ccc(NC(=O)Cc3ccc(C(C)C)cc3)n2)ccc1C#N
InChIInChI=1S/C24H27N5O2/c1-16(2)19-7-5-18(6-8-19)13-23(30)27-22-11-12-29(28-22)15-21-10-9-20(14-25)24(26-21)31-17(3)4/h5-12,16-17H,13,15H2,1-4H3,(H,27,28,30)
InChIKeyZUCQDYGCBVZZQI-UHFFFAOYSA-N
XLogP4.29
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide (CID 118560789) is N-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide is CC(C)Oc1nc(Cn2ccc(NC(=O)Cc3ccc(C(C)C)cc3)n2)ccc1C#N.
What is the InChIKey of N-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is ZUCQDYGCBVZZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16(2)19-7-5-18(6-8-19)13-23(30)27-22-11-12-29(28-22)15-21-10-9-20(14-25)24(26-21)31-17(3)4/h5-12,16-17H,13,15H2,1-4H3,(H,27,28,30).
What are the key properties of N-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide?
N-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 417.51 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-cyano-6-propan-2-yloxy-2-pyridinyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 118560789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).