N-[1-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine

C20H28N4O2 — CID 167900045

IUPACN-[1-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine
SMILESCC(Nc1cc(C2CCOC2)ccn1)c1cc(C2CCOCC2)nn1C
InChIInChI=1S/C20H28N4O2/c1-14(19-12-18(23-24(19)2)15-4-8-25-9-5-15)22-20-11-16(3-7-21-20)17-6-10-26-13-17/h3,7,11-12,14-15,17H,4-6,8-10,13H2,1-2H3,(H,21,22)
InChIKeyLSGMDNBXZORUPR-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.39
Rot. Bonds5

About N-[1-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine

N-[1-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine (PubChem CID 167900045) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine
PubChem CID167900045
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[1-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine
SMILESCC(Nc1cc(C2CCOC2)ccn1)c1cc(C2CCOCC2)nn1C
InChIInChI=1S/C20H28N4O2/c1-14(19-12-18(23-24(19)2)15-4-8-25-9-5-15)22-20-11-16(3-7-21-20)17-6-10-26-13-17/h3,7,11-12,14-15,17H,4-6,8-10,13H2,1-2H3,(H,21,22)
InChIKeyLSGMDNBXZORUPR-UHFFFAOYSA-N
XLogP3.39
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine?
The IUPAC name of N-[1-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine (CID 167900045) is N-[1-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for N-[1-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine?
The canonical SMILES for N-[1-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine is CC(Nc1cc(C2CCOC2)ccn1)c1cc(C2CCOCC2)nn1C.
What is the InChIKey of N-[1-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine?
The InChIKey is LSGMDNBXZORUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14(19-12-18(23-24(19)2)15-4-8-25-9-5-15)22-20-11-16(3-7-21-20)17-6-10-26-13-17/h3,7,11-12,14-15,17H,4-6,8-10,13H2,1-2H3,(H,21,22).
What are the key properties of N-[1-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine?
N-[1-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine has a molecular weight of 356.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 167900045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).