N-[2-morpholin-4-yl-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-yl]quinolin-3-amine

C23H20N8O — CID 53321410

IUPACN-[2-morpholin-4-yl-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-yl]quinolin-3-amine
SMILESc1ccc2ncc(Nc3cc(-c4cnc5[nH]ncc5c4)nc(N4CCOCC4)n3)cc2c1
InChIInChI=1S/C23H20N8O/c1-2-4-19-15(3-1)10-18(14-24-19)27-21-11-20(16-9-17-13-26-30-22(17)25-12-16)28-23(29-21)31-5-7-32-8-6-31/h1-4,9-14H,5-8H2,(H,25,26,30)(H,27,28,29)
InChIKeyVEBFTHFELSOFKM-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.54
Rot. Bonds4

About N-[2-morpholin-4-yl-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-yl]quinolin-3-amine

N-[2-morpholin-4-yl-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-yl]quinolin-3-amine (PubChem CID 53321410) has the molecular formula C23H20N8O and a molecular weight of 424.47 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-yl]quinolin-3-amine.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-yl]quinolin-3-amine
PubChem CID53321410
Molecular FormulaC23H20N8O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC NameN-[2-morpholin-4-yl-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-yl]quinolin-3-amine
SMILESc1ccc2ncc(Nc3cc(-c4cnc5[nH]ncc5c4)nc(N4CCOCC4)n3)cc2c1
InChIInChI=1S/C23H20N8O/c1-2-4-19-15(3-1)10-18(14-24-19)27-21-11-20(16-9-17-13-26-30-22(17)25-12-16)28-23(29-21)31-5-7-32-8-6-31/h1-4,9-14H,5-8H2,(H,25,26,30)(H,27,28,29)
InChIKeyVEBFTHFELSOFKM-UHFFFAOYSA-N
XLogP3.54
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-yl]quinolin-3-amine?
The IUPAC name of N-[2-morpholin-4-yl-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-yl]quinolin-3-amine (CID 53321410) is N-[2-morpholin-4-yl-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-yl]quinolin-3-amine.
What is the SMILES notation for N-[2-morpholin-4-yl-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-yl]quinolin-3-amine?
The canonical SMILES for N-[2-morpholin-4-yl-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-yl]quinolin-3-amine is c1ccc2ncc(Nc3cc(-c4cnc5[nH]ncc5c4)nc(N4CCOCC4)n3)cc2c1.
What is the InChIKey of N-[2-morpholin-4-yl-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-yl]quinolin-3-amine?
The InChIKey is VEBFTHFELSOFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O/c1-2-4-19-15(3-1)10-18(14-24-19)27-21-11-20(16-9-17-13-26-30-22(17)25-12-16)28-23(29-21)31-5-7-32-8-6-31/h1-4,9-14H,5-8H2,(H,25,26,30)(H,27,28,29).
What are the key properties of N-[2-morpholin-4-yl-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-yl]quinolin-3-amine?
N-[2-morpholin-4-yl-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-yl]quinolin-3-amine has a molecular weight of 424.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-yl]quinolin-3-amine is sourced from PubChem (CID 53321410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).