1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide

C26H36N6O3 — CID 3236596

IUPAC1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2c(C)nn3c(N4CCC(C(=O)NCCN(C)C)CC4)cc(C)nc23)cc1OC
InChIInChI=1S/C26H36N6O3/c1-17-15-23(31-12-9-19(10-13-31)26(33)27-11-14-30(3)4)32-25(28-17)24(18(2)29-32)20-7-8-21(34-5)22(16-20)35-6/h7-8,15-16,19H,9-14H2,1-6H3,(H,27,33)
InChIKeyGVUBOEQCHRBEEX-UHFFFAOYSA-N
MW480.61 g/mol
LogP2.92
Rot. Bonds8

About 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide

1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 3236596) has the molecular formula C26H36N6O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
PubChem CID3236596
Molecular FormulaC26H36N6O3
Molecular Weight480.61 g/mol
Exact Mass480.28
IUPAC Name1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2c(C)nn3c(N4CCC(C(=O)NCCN(C)C)CC4)cc(C)nc23)cc1OC
InChIInChI=1S/C26H36N6O3/c1-17-15-23(31-12-9-19(10-13-31)26(33)27-11-14-30(3)4)32-25(28-17)24(18(2)29-32)20-7-8-21(34-5)22(16-20)35-6/h7-8,15-16,19H,9-14H2,1-6H3,(H,27,33)
InChIKeyGVUBOEQCHRBEEX-UHFFFAOYSA-N
XLogP2.92
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide (CID 3236596) is 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide is COc1ccc(-c2c(C)nn3c(N4CCC(C(=O)NCCN(C)C)CC4)cc(C)nc23)cc1OC.
What is the InChIKey of 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is GVUBOEQCHRBEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O3/c1-17-15-23(31-12-9-19(10-13-31)26(33)27-11-14-30(3)4)32-25(28-17)24(18(2)29-32)20-7-8-21(34-5)22(16-20)35-6/h7-8,15-16,19H,9-14H2,1-6H3,(H,27,33).
What are the key properties of 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 3236596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).