N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide

C22H32N6O — CID 90520777

IUPACN-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2cc(N3CCCC(C(=O)NC4CCCCCC4)C3)ncn2)n1
InChIInChI=1S/C22H32N6O/c1-16-12-17(2)28(26-16)21-13-20(23-15-24-21)27-11-7-8-18(14-27)22(29)25-19-9-5-3-4-6-10-19/h12-13,15,18-19H,3-11,14H2,1-2H3,(H,25,29)
InChIKeyMEJPLTUYQVEOFD-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.33
Rot. Bonds4

About N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide

N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 90520777) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID90520777
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC NameN-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2cc(N3CCCC(C(=O)NC4CCCCCC4)C3)ncn2)n1
InChIInChI=1S/C22H32N6O/c1-16-12-17(2)28(26-16)21-13-20(23-15-24-21)27-11-7-8-18(14-27)22(29)25-19-9-5-3-4-6-10-19/h12-13,15,18-19H,3-11,14H2,1-2H3,(H,25,29)
InChIKeyMEJPLTUYQVEOFD-UHFFFAOYSA-N
XLogP3.33
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90520908
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90544363
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 90520791
ethyl 4-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 121169098
methyl 4-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carbonyl]amino]benzoate
CID 90520758
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 90520746
(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95367750
N-cyclopentyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90600584
(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 95369349
4-[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carbonyl]piperazine-1-carbaldehyde
CID 90520933
(3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 95369354
2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 90520886

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 90520777) is N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide is Cc1cc(C)n(-c2cc(N3CCCC(C(=O)NC4CCCCCC4)C3)ncn2)n1.
What is the InChIKey of N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is MEJPLTUYQVEOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-16-12-17(2)28(26-16)21-13-20(23-15-24-21)27-11-7-8-18(14-27)22(29)25-19-9-5-3-4-6-10-19/h12-13,15,18-19H,3-11,14H2,1-2H3,(H,25,29).
What are the key properties of N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 90520777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).