N-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide

C26H27FN6O — CID 155208901

IUPACN-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(c2ccc(C(=O)Nc3n[nH]c4nc(N(C)c5ccccc5F)ccc34)cc2)CC1
InChIInChI=1S/C26H27FN6O/c1-32-15-13-18(14-16-32)17-7-9-19(10-8-17)26(34)29-25-20-11-12-23(28-24(20)30-31-25)33(2)22-6-4-3-5-21(22)27/h3-12,18H,13-16H2,1-2H3,(H2,28,29,30,31,34)
InChIKeySLAKCIAJRDSFOF-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.93
Rot. Bonds5

About N-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide

N-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide (PubChem CID 155208901) has the molecular formula C26H27FN6O and a molecular weight of 458.54 g/mol. Its IUPAC name is N-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide
PubChem CID155208901
Molecular FormulaC26H27FN6O
Molecular Weight458.54 g/mol
Exact Mass458.22
IUPAC NameN-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(c2ccc(C(=O)Nc3n[nH]c4nc(N(C)c5ccccc5F)ccc34)cc2)CC1
InChIInChI=1S/C26H27FN6O/c1-32-15-13-18(14-16-32)17-7-9-19(10-8-17)26(34)29-25-20-11-12-23(28-24(20)30-31-25)33(2)22-6-4-3-5-21(22)27/h3-12,18H,13-16H2,1-2H3,(H2,28,29,30,31,34)
InChIKeySLAKCIAJRDSFOF-UHFFFAOYSA-N
XLogP4.93
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of N-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide (CID 155208901) is N-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for N-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide is CN1CCC(c2ccc(C(=O)Nc3n[nH]c4nc(N(C)c5ccccc5F)ccc34)cc2)CC1.
What is the InChIKey of N-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is SLAKCIAJRDSFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O/c1-32-15-13-18(14-16-32)17-7-9-19(10-8-17)26(34)29-25-20-11-12-23(28-24(20)30-31-25)33(2)22-6-4-3-5-21(22)27/h3-12,18H,13-16H2,1-2H3,(H2,28,29,30,31,34).
What are the key properties of N-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide?
N-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 458.54 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 155208901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).