methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine

C24H20N10O2 — CID 175018464

IUPACmethyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine
SMILESCOC(=O)Nc1cc(-c2cnc3[nH]ncc3c2)ccn1.Nc1cc(-c2cnc3[nH]ncc3c2)ccn1
InChIInChI=1S/C13H11N5O2.C11H9N5/c1-20-13(19)17-11-5-8(2-3-14-11)9-4-10-7-16-18-12(10)15-6-9;12-10-4-7(1-2-13-10)8-3-9-6-15-16-11(9)14-5-8/h2-7H,1H3,(H,14,17,19)(H,15,16,18);1-6H,(H2,12,13)(H,14,15,16)
InChIKeyCYMFVQHDBXUGOW-UHFFFAOYSA-N
MW480.49 g/mol
LogP3.80
Rot. Bonds3

About methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine

methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine (PubChem CID 175018464) has the molecular formula C24H20N10O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine.

Molecular Properties

Compound Namemethyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine
PubChem CID175018464
Molecular FormulaC24H20N10O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC Namemethyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine
SMILESCOC(=O)Nc1cc(-c2cnc3[nH]ncc3c2)ccn1.Nc1cc(-c2cnc3[nH]ncc3c2)ccn1
InChIInChI=1S/C13H11N5O2.C11H9N5/c1-20-13(19)17-11-5-8(2-3-14-11)9-4-10-7-16-18-12(10)15-6-9;12-10-4-7(1-2-13-10)8-3-9-6-15-16-11(9)14-5-8/h2-7H,1H3,(H,14,17,19)(H,15,16,18);1-6H,(H2,12,13)(H,14,15,16)
InChIKeyCYMFVQHDBXUGOW-UHFFFAOYSA-N
XLogP3.80
TPSA173.27 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine with MolForge

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Related Compounds

4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine;[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamic acid
CID 130378496
methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate
CID 144939875
methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate
CID 166473361
methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate
CID 168929213
methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate
CID 170422415
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182
N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate
CID 23080651
methyl N-[4-[6-(2,4-dimethylpentoxy)-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]carbamate
CID 144939981
methyl N-[4-[6-(2-amino-2,4-dimethylpentoxy)-5-(difluoromethyl)-3-pyridinyl]-2-pyridinyl]carbamate
CID 123510763
methyl N-[4-[6-[(2R)-2-amino-2,4-dimethylpentoxy]-5-(difluoromethyl)-3-pyridinyl]-2-pyridinyl]carbamate
CID 129292479
methyl N-(4-propan-2-yl-2-pyridinyl)carbamate
CID 168928521

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine?
The IUPAC name of methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine (CID 175018464) is methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine.
What is the SMILES notation for methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine?
The canonical SMILES for methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine is COC(=O)Nc1cc(-c2cnc3[nH]ncc3c2)ccn1.Nc1cc(-c2cnc3[nH]ncc3c2)ccn1.
What is the InChIKey of methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine?
The InChIKey is CYMFVQHDBXUGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2.C11H9N5/c1-20-13(19)17-11-5-8(2-3-14-11)9-4-10-7-16-18-12(10)15-6-9;12-10-4-7(1-2-13-10)8-3-9-6-15-16-11(9)14-5-8/h2-7H,1H3,(H,14,17,19)(H,15,16,18);1-6H,(H2,12,13)(H,14,15,16).
What are the key properties of methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine?
methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine has a molecular weight of 480.49 g/mol, XLogP of 3.80, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine is sourced from PubChem (CID 175018464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).