N-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C22H28N4O2 — CID 95799451

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1[C@H](C)Nc1c(C)c(C)nc2cc(C3CCOCC3)nn12
InChIInChI=1S/C22H28N4O2/c1-14-15(2)23-21-13-19(17-9-11-28-12-10-17)25-26(21)22(14)24-16(3)18-7-5-6-8-20(18)27-4/h5-8,13,16-17,24H,9-12H2,1-4H3/t16-/m0/s1
InChIKeyQRBDBEFGHPWGLH-INIZCTEOSA-N
MW380.49 g/mol
LogP4.42
Rot. Bonds5

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95799451) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95799451
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1[C@H](C)Nc1c(C)c(C)nc2cc(C3CCOCC3)nn12
InChIInChI=1S/C22H28N4O2/c1-14-15(2)23-21-13-19(17-9-11-28-12-10-17)25-26(21)22(14)24-16(3)18-7-5-6-8-20(18)27-4/h5-8,13,16-17,24H,9-12H2,1-4H3/t16-/m0/s1
InChIKeyQRBDBEFGHPWGLH-INIZCTEOSA-N
XLogP4.42
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-(3-methoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 95798961
N-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 95798960
2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 110215002
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8890761
7-chloro-2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82269862
4-[5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpiperazine-1-sulfonamide
CID 95798971
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 94874302
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
4-(2-methoxyphenyl)oxane
CID 121009799
6-bromo-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine
CID 155188182

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 95799451) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccccc1[C@H](C)Nc1c(C)c(C)nc2cc(C3CCOCC3)nn12.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QRBDBEFGHPWGLH-INIZCTEOSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-14-15(2)23-21-13-19(17-9-11-28-12-10-17)25-26(21)22(14)24-16(3)18-7-5-6-8-20(18)27-4/h5-8,13,16-17,24H,9-12H2,1-4H3/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 380.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95799451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).