N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

C17H17N7O3 — CID 166366395

IUPACN-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESNC(=O)CCNC(=O)Nc1cccc(NC(=O)c2[nH]nc3ncccc23)c1
InChIInChI=1S/C17H17N7O3/c18-13(25)6-8-20-17(27)22-11-4-1-3-10(9-11)21-16(26)14-12-5-2-7-19-15(12)24-23-14/h1-5,7,9H,6,8H2,(H2,18,25)(H,21,26)(H,19,23,24)(H2,20,22,27)
InChIKeyPXMNZWXZTPNFHA-UHFFFAOYSA-N
MW367.37 g/mol
LogP1.21
Rot. Bonds6

About N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 166366395) has the molecular formula C17H17N7O3 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID166366395
Molecular FormulaC17H17N7O3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC NameN-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESNC(=O)CCNC(=O)Nc1cccc(NC(=O)c2[nH]nc3ncccc23)c1
InChIInChI=1S/C17H17N7O3/c18-13(25)6-8-20-17(27)22-11-4-1-3-10(9-11)21-16(26)14-12-5-2-7-19-15(12)24-23-14/h1-5,7,9H,6,8H2,(H2,18,25)(H,21,26)(H,19,23,24)(H2,20,22,27)
InChIKeyPXMNZWXZTPNFHA-UHFFFAOYSA-N
XLogP1.21
TPSA154.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 51.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 166366395) is N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2[nH]nc3ncccc23)c1.
What is the InChIKey of N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is PXMNZWXZTPNFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O3/c18-13(25)6-8-20-17(27)22-11-4-1-3-10(9-11)21-16(26)14-12-5-2-7-19-15(12)24-23-14/h1-5,7,9H,6,8H2,(H2,18,25)(H,21,26)(H,19,23,24)(H2,20,22,27).
What are the key properties of N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 1.21, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 166366395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).