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

C28H39N5O3 — CID 5309516

IUPAC1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dipropylpiperidine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1CCN(c2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)CC1
InChIInChI=1S/C28H39N5O3/c1-7-13-32(14-8-2)28(34)21-11-15-31(16-12-21)25-17-19(3)29-27-26(20(4)30-33(25)27)22-9-10-23(35-5)24(18-22)36-6/h9-10,17-18,21H,7-8,11-16H2,1-6H3
InChIKeyPAJWTFQORIDJTL-UHFFFAOYSA-N
MW493.65 g/mol
LogP4.90
Rot. Bonds9

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

1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dipropylpiperidine-4-carboxamide (PubChem CID 5309516) has the molecular formula C28H39N5O3 and a molecular weight of 493.65 g/mol. Its IUPAC name is 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dipropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dipropylpiperidine-4-carboxamide
PubChem CID5309516
Molecular FormulaC28H39N5O3
Molecular Weight493.65 g/mol
Exact Mass493.31
IUPAC Name1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dipropylpiperidine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1CCN(c2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)CC1
InChIInChI=1S/C28H39N5O3/c1-7-13-32(14-8-2)28(34)21-11-15-31(16-12-21)25-17-19(3)29-27-26(20(4)30-33(25)27)22-9-10-23(35-5)24(18-22)36-6/h9-10,17-18,21H,7-8,11-16H2,1-6H3
InChIKeyPAJWTFQORIDJTL-UHFFFAOYSA-N
XLogP4.90
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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,N-dipropylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dipropylpiperidine-4-carboxamide (CID 5309516) is 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dipropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dipropylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dipropylpiperidine-4-carboxamide is CCCN(CCC)C(=O)C1CCN(c2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)CC1.
What is the InChIKey of 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dipropylpiperidine-4-carboxamide?
The InChIKey is PAJWTFQORIDJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O3/c1-7-13-32(14-8-2)28(34)21-11-15-31(16-12-21)25-17-19(3)29-27-26(20(4)30-33(25)27)22-9-10-23(35-5)24(18-22)36-6/h9-10,17-18,21H,7-8,11-16H2,1-6H3.
What are the key properties of 1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dipropylpiperidine-4-carboxamide?
1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dipropylpiperidine-4-carboxamide has a molecular weight of 493.65 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 7 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,N-dipropylpiperidine-4-carboxamide is sourced from PubChem (CID 5309516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).