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

C23H18N10O2 — CID 130378496

IUPAC4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine;[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamic acid
SMILESNc1cc(-c2cnc3[nH]ncc3c2)ccn1.O=C(O)Nc1cc(-c2cnc3[nH]ncc3c2)ccn1
InChIInChI=1S/C12H9N5O2.C11H9N5/c18-12(19)16-10-4-7(1-2-13-10)8-3-9-6-15-17-11(9)14-5-8;12-10-4-7(1-2-13-10)8-3-9-6-15-16-11(9)14-5-8/h1-6H,(H,13,16)(H,18,19)(H,14,15,17);1-6H,(H2,12,13)(H,14,15,16)
InChIKeyMGROJQXWEJSCTG-UHFFFAOYSA-N
MW466.47 g/mol
LogP3.71
Rot. Bonds3

About 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

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 (PubChem CID 130378496) has the molecular formula C23H18N10O2 and a molecular weight of 466.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine;[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamic acid
PubChem CID130378496
Molecular FormulaC23H18N10O2
Molecular Weight466.47 g/mol
Exact Mass466.16
IUPAC Name4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine;[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamic acid
SMILESNc1cc(-c2cnc3[nH]ncc3c2)ccn1.O=C(O)Nc1cc(-c2cnc3[nH]ncc3c2)ccn1
InChIInChI=1S/C12H9N5O2.C11H9N5/c18-12(19)16-10-4-7(1-2-13-10)8-3-9-6-15-17-11(9)14-5-8;12-10-4-7(1-2-13-10)8-3-9-6-15-16-11(9)14-5-8/h1-6H,(H,13,16)(H,18,19)(H,14,15,17);1-6H,(H2,12,13)(H,14,15,16)
InChIKeyMGROJQXWEJSCTG-UHFFFAOYSA-N
XLogP3.71
TPSA184.27 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 53.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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

Launch Full Analysis

Related Compounds

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
4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
CID 82388447
N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid
CID 174234102
[4-(aminomethyl)-2-pyridinyl]carbamic acid
CID 154255839
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
5-[(2-amino-4-pyridinyl)amino]-N-phenyl-1H-indazole-7-carboxamide
CID 59023830
4-amino-N-(4-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 63107417
[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea
CID 68805754
[4-[3-amino-7-(3-amino-3-methylbut-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamic acid
CID 170351977
5-(2-amino-4-pyridinyl)pyridin-2-amine
CID 69116812
[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]urea
CID 118298839

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1cc(-c2cnc3[nH]ncc3c2)ccn1.O=C(O)Nc1cc(-c2cnc3[nH]ncc3c2)ccn1.
What is the InChIKey of 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?
The InChIKey is MGROJQXWEJSCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2.C11H9N5/c18-12(19)16-10-4-7(1-2-13-10)8-3-9-6-15-17-11(9)14-5-8;12-10-4-7(1-2-13-10)8-3-9-6-15-16-11(9)14-5-8/h1-6H,(H,13,16)(H,18,19)(H,14,15,17);1-6H,(H2,12,13)(H,14,15,16).
What are the key properties of 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?
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 has a molecular weight of 466.47 g/mol, XLogP of 3.71, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130378496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).