N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide

C24H30N6O2 — CID 44589943

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(OC3CCN(C(C)C)C3)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C24H30N6O2/c1-15(2)29-10-9-21(14-29)32-20-8-6-7-19(12-20)22-13-23(25-18(5)31)27-24(26-22)30-17(4)11-16(3)28-30/h6-8,11-13,15,21H,9-10,14H2,1-5H3,(H,25,26,27,31)
InChIKeyUAVPYOCGCXNBPX-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide (PubChem CID 44589943) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide
PubChem CID44589943
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(OC3CCN(C(C)C)C3)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C24H30N6O2/c1-15(2)29-10-9-21(14-29)32-20-8-6-7-19(12-20)22-13-23(25-18(5)31)27-24(26-22)30-17(4)11-16(3)28-30/h6-8,11-13,15,21H,9-10,14H2,1-5H3,(H,25,26,27,31)
InChIKeyUAVPYOCGCXNBPX-UHFFFAOYSA-N
XLogP3.77
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide (CID 44589943) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cccc(OC3CCN(C(C)C)C3)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide?
The InChIKey is UAVPYOCGCXNBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-15(2)29-10-9-21(14-29)32-20-8-6-7-19(12-20)22-13-23(25-18(5)31)27-24(26-22)30-17(4)11-16(3)28-30/h6-8,11-13,15,21H,9-10,14H2,1-5H3,(H,25,26,27,31).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 44589943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).