3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide

C22H26N6O3 — CID 90546079

IUPAC3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3cc(N4CCC(C)CC4)ncn3)[nH]n2)c1
InChIInChI=1S/C22H26N6O3/c1-14-6-8-28(9-7-14)21-12-20(23-13-24-21)25-22(29)18-11-17(26-27-18)16-10-15(30-2)4-5-19(16)31-3/h4-5,10-14H,6-9H2,1-3H3,(H,26,27)(H,23,24,25,29)
InChIKeyJNENUCVBRRWGKU-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.37
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 90546079) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID90546079
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3cc(N4CCC(C)CC4)ncn3)[nH]n2)c1
InChIInChI=1S/C22H26N6O3/c1-14-6-8-28(9-7-14)21-12-20(23-13-24-21)25-22(29)18-11-17(26-27-18)16-10-15(30-2)4-5-19(16)31-3/h4-5,10-14H,6-9H2,1-3H3,(H,26,27)(H,23,24,25,29)
InChIKeyJNENUCVBRRWGKU-UHFFFAOYSA-N
XLogP3.37
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90545806
3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide
CID 90544593
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856463
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
CID 90545933
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90546033
1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90546257
2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545945
3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide
CID 90546179
3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide
CID 90544240
N-(2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342253
5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide
CID 90546108

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide (CID 90546079) is 3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(N4CCC(C)CC4)ncn3)[nH]n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is JNENUCVBRRWGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-14-6-8-28(9-7-14)21-12-20(23-13-24-21)25-22(29)18-11-17(26-27-18)16-10-15(30-2)4-5-19(16)31-3/h4-5,10-14H,6-9H2,1-3H3,(H,26,27)(H,23,24,25,29).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90546079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).