N-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride

C23H27Cl2N5O — CID 120567750

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NC(CN)c2ccc3ccccc3c2)c2cnn(C(C)C)c2n1.Cl.Cl
InChIInChI=1S/C23H25N5O.2ClH/c1-14(2)28-22-20(13-25-28)19(10-15(3)26-22)23(29)27-21(12-24)18-9-8-16-6-4-5-7-17(16)11-18;;/h4-11,13-14,21H,12,24H2,1-3H3,(H,27,29);2*1H
InChIKeyFZYRWPSMGNMZIZ-UHFFFAOYSA-N
MW460.41 g/mol
LogP4.75
Rot. Bonds5

About N-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 120567750) has the molecular formula C23H27Cl2N5O and a molecular weight of 460.41 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID120567750
Molecular FormulaC23H27Cl2N5O
Molecular Weight460.41 g/mol
Exact Mass459.16
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NC(CN)c2ccc3ccccc3c2)c2cnn(C(C)C)c2n1.Cl.Cl
InChIInChI=1S/C23H25N5O.2ClH/c1-14(2)28-22-20(13-25-28)19(10-15(3)26-22)23(29)27-21(12-24)18-9-8-16-6-4-5-7-17(16)11-18;;/h4-11,13-14,21H,12,24H2,1-3H3,(H,27,29);2*1H
InChIKeyFZYRWPSMGNMZIZ-UHFFFAOYSA-N
XLogP4.75
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride (CID 120567750) is N-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride is Cc1cc(C(=O)NC(CN)c2ccc3ccccc3c2)c2cnn(C(C)C)c2n1.Cl.Cl.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is FZYRWPSMGNMZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O.2ClH/c1-14(2)28-22-20(13-25-28)19(10-15(3)26-22)23(29)27-21(12-24)18-9-8-16-6-4-5-7-17(16)11-18;;/h4-11,13-14,21H,12,24H2,1-3H3,(H,27,29);2*1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 460.41 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120567750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).