N'-[[3-[1-cyclopropyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]methyl]-N'-methylethane-1,2-diamine

C24H33N7O — CID 131973207

IUPACN'-[[3-[1-cyclopropyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cccc(-c2nc(N(C)C3CCOCC3)c3cnn(C4CC4)c3n2)c1
InChIInChI=1S/C24H33N7O/c1-29(11-10-25)16-17-4-3-5-18(14-17)22-27-23(30(2)19-8-12-32-13-9-19)21-15-26-31(20-6-7-20)24(21)28-22/h3-5,14-15,19-20H,6-13,16,25H2,1-2H3
InChIKeyNUARWXYRSYUVPM-UHFFFAOYSA-N
MW435.58 g/mol
LogP2.83
Rot. Bonds8

About N'-[[3-[1-cyclopropyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]methyl]-N'-methylethane-1,2-diamine

N'-[[3-[1-cyclopropyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]methyl]-N'-methylethane-1,2-diamine (PubChem CID 131973207) has the molecular formula C24H33N7O and a molecular weight of 435.58 g/mol. Its IUPAC name is N'-[[3-[1-cyclopropyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-[1-cyclopropyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]methyl]-N'-methylethane-1,2-diamine
PubChem CID131973207
Molecular FormulaC24H33N7O
Molecular Weight435.58 g/mol
Exact Mass435.27
IUPAC NameN'-[[3-[1-cyclopropyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cccc(-c2nc(N(C)C3CCOCC3)c3cnn(C4CC4)c3n2)c1
InChIInChI=1S/C24H33N7O/c1-29(11-10-25)16-17-4-3-5-18(14-17)22-27-23(30(2)19-8-12-32-13-9-19)21-15-26-31(20-6-7-20)24(21)28-22/h3-5,14-15,19-20H,6-13,16,25H2,1-2H3
InChIKeyNUARWXYRSYUVPM-UHFFFAOYSA-N
XLogP2.83
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-[1-cyclopropyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[[3-[1-cyclopropyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]methyl]-N'-methylethane-1,2-diamine (CID 131973207) is N'-[[3-[1-cyclopropyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[3-[1-cyclopropyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[[3-[1-cyclopropyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1cccc(-c2nc(N(C)C3CCOCC3)c3cnn(C4CC4)c3n2)c1.
What is the InChIKey of N'-[[3-[1-cyclopropyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]methyl]-N'-methylethane-1,2-diamine?
The InChIKey is NUARWXYRSYUVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O/c1-29(11-10-25)16-17-4-3-5-18(14-17)22-27-23(30(2)19-8-12-32-13-9-19)21-15-26-31(20-6-7-20)24(21)28-22/h3-5,14-15,19-20H,6-13,16,25H2,1-2H3.
What are the key properties of N'-[[3-[1-cyclopropyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]methyl]-N'-methylethane-1,2-diamine?
N'-[[3-[1-cyclopropyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]methyl]-N'-methylethane-1,2-diamine has a molecular weight of 435.58 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[1-cyclopropyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 131973207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).