N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine

C18H26N6O3S — CID 126891157

IUPACN-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)ncn1
InChIInChI=1S/C18H26N6O3S/c1-12-18(13(2)22-21-12)28(25,26)23-8-6-15(7-9-23)24(14-4-5-14)16-10-17(27-3)20-11-19-16/h10-11,14-15H,4-9H2,1-3H3,(H,21,22)
InChIKeyKCJJETLBJIWMLE-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.65
Rot. Bonds6

About N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine

N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine (PubChem CID 126891157) has the molecular formula C18H26N6O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
PubChem CID126891157
Molecular FormulaC18H26N6O3S
Molecular Weight406.51 g/mol
Exact Mass406.18
IUPAC NameN-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)ncn1
InChIInChI=1S/C18H26N6O3S/c1-12-18(13(2)22-21-12)28(25,26)23-8-6-15(7-9-23)24(14-4-5-14)16-10-17(27-3)20-11-19-16/h10-11,14-15H,4-9H2,1-3H3,(H,21,22)
InChIKeyKCJJETLBJIWMLE-UHFFFAOYSA-N
XLogP1.65
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine with MolForge

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Related Compounds

N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891211
N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 126851874
[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 126891112
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721365
4-(3,5-difluoro-4-methoxyphenoxy)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 72550009
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171326942
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanesulfonamide
CID 60705530
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine
CID 110725900
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenoxypiperidine
CID 90025029
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-3-ol
CID 103914983

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine (CID 126891157) is N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine is COc1cc(N(C2CC2)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The InChIKey is KCJJETLBJIWMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3S/c1-12-18(13(2)22-21-12)28(25,26)23-8-6-15(7-9-23)24(14-4-5-14)16-10-17(27-3)20-11-19-16/h10-11,14-15H,4-9H2,1-3H3,(H,21,22).
What are the key properties of N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine has a molecular weight of 406.51 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 126891157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).