N-(4-methoxyphenyl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine

C22H20N6O2 — CID 162650701

IUPACN-(4-methoxyphenyl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3c(-c4cccnc4)nn4c3COCC4)n2)cc1
InChIInChI=1S/C22H20N6O2/c1-29-17-6-4-16(5-7-17)25-22-24-10-8-18(26-22)20-19-14-30-12-11-28(19)27-21(20)15-3-2-9-23-13-15/h2-10,13H,11-12,14H2,1H3,(H,24,25,26)
InChIKeyOSMTZLAPYRAMHS-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.68
Rot. Bonds5

About N-(4-methoxyphenyl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine

N-(4-methoxyphenyl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine (PubChem CID 162650701) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine
PubChem CID162650701
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN-(4-methoxyphenyl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3c(-c4cccnc4)nn4c3COCC4)n2)cc1
InChIInChI=1S/C22H20N6O2/c1-29-17-6-4-16(5-7-17)25-22-24-10-8-18(26-22)20-19-14-30-12-11-28(19)27-21(20)15-3-2-9-23-13-15/h2-10,13H,11-12,14H2,1H3,(H,24,25,26)
InChIKeyOSMTZLAPYRAMHS-UHFFFAOYSA-N
XLogP3.68
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine (CID 162650701) is N-(4-methoxyphenyl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine is COc1ccc(Nc2nccc(-c3c(-c4cccnc4)nn4c3COCC4)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine?
The InChIKey is OSMTZLAPYRAMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-29-17-6-4-16(5-7-17)25-22-24-10-8-18(26-22)20-19-14-30-12-11-28(19)27-21(20)15-3-2-9-23-13-15/h2-10,13H,11-12,14H2,1H3,(H,24,25,26).
What are the key properties of N-(4-methoxyphenyl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine?
N-(4-methoxyphenyl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine has a molecular weight of 400.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 162650701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).