N-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

C27H31F3N8O — CID 10007464

IUPACN-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCN(CCCc1cc(Nc2[nH]nc3ncccc23)nc(-c2ccccc2C(F)(F)F)n1)CCN1CCOCC1
InChIInChI=1S/C27H31F3N8O/c1-37(12-13-38-14-16-39-17-15-38)11-5-6-19-18-23(34-26-21-8-4-10-31-24(21)35-36-26)33-25(32-19)20-7-2-3-9-22(20)27(28,29)30/h2-4,7-10,18H,5-6,11-17H2,1H3,(H2,31,32,33,34,35,36)
InChIKeyAQHAJNPKECDVLW-UHFFFAOYSA-N
MW540.59 g/mol
LogP4.37
Rot. Bonds10

About N-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

N-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 10007464) has the molecular formula C27H31F3N8O and a molecular weight of 540.59 g/mol. Its IUPAC name is N-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID10007464
Molecular FormulaC27H31F3N8O
Molecular Weight540.59 g/mol
Exact Mass540.26
IUPAC NameN-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCN(CCCc1cc(Nc2[nH]nc3ncccc23)nc(-c2ccccc2C(F)(F)F)n1)CCN1CCOCC1
InChIInChI=1S/C27H31F3N8O/c1-37(12-13-38-14-16-39-17-15-38)11-5-6-19-18-23(34-26-21-8-4-10-31-24(21)35-36-26)33-25(32-19)20-7-2-3-9-22(20)27(28,29)30/h2-4,7-10,18H,5-6,11-17H2,1H3,(H2,31,32,33,34,35,36)
InChIKeyAQHAJNPKECDVLW-UHFFFAOYSA-N
XLogP4.37
TPSA95.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.59
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 10007464) is N-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is CN(CCCc1cc(Nc2[nH]nc3ncccc23)nc(-c2ccccc2C(F)(F)F)n1)CCN1CCOCC1.
What is the InChIKey of N-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is AQHAJNPKECDVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N8O/c1-37(12-13-38-14-16-39-17-15-38)11-5-6-19-18-23(34-26-21-8-4-10-31-24(21)35-36-26)33-25(32-19)20-7-2-3-9-22(20)27(28,29)30/h2-4,7-10,18H,5-6,11-17H2,1H3,(H2,31,32,33,34,35,36).
What are the key properties of N-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
N-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 540.59 g/mol, XLogP of 4.37, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 10007464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).