N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide

C24H22FN5O — CID 59463690

IUPACN-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1cc(-c2ccc(NC(=O)C3(c4cccc(F)c4)CC3)cc2)c2c(N)nn(C)c2n1
InChIInChI=1S/C24H22FN5O/c1-14-12-19(20-21(26)29-30(2)22(20)27-14)15-6-8-18(9-7-15)28-23(31)24(10-11-24)16-4-3-5-17(25)13-16/h3-9,12-13H,10-11H2,1-2H3,(H2,26,29)(H,28,31)
InChIKeyOKROQYWSCFIPRY-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.34
Rot. Bonds4

About N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide

N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 59463690) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID59463690
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC NameN-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1cc(-c2ccc(NC(=O)C3(c4cccc(F)c4)CC3)cc2)c2c(N)nn(C)c2n1
InChIInChI=1S/C24H22FN5O/c1-14-12-19(20-21(26)29-30(2)22(20)27-14)15-6-8-18(9-7-15)28-23(31)24(10-11-24)16-4-3-5-17(25)13-16/h3-9,12-13H,10-11H2,1-2H3,(H2,26,29)(H,28,31)
InChIKeyOKROQYWSCFIPRY-UHFFFAOYSA-N
XLogP4.34
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide (CID 59463690) is N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide is Cc1cc(-c2ccc(NC(=O)C3(c4cccc(F)c4)CC3)cc2)c2c(N)nn(C)c2n1.
What is the InChIKey of N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is OKROQYWSCFIPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-14-12-19(20-21(26)29-30(2)22(20)27-14)15-6-8-18(9-7-15)28-23(31)24(10-11-24)16-4-3-5-17(25)13-16/h3-9,12-13H,10-11H2,1-2H3,(H2,26,29)(H,28,31).
What are the key properties of N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide?
N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 59463690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).