N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide

C25H17N7O — CID 137116628

IUPACN-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5cccnc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C25H17N7O/c33-25(15-5-2-1-3-6-15)29-19-9-17(12-26-14-19)18-10-20-22(31-32-24(20)28-13-18)21-11-16-7-4-8-27-23(16)30-21/h1-14H,(H,27,30)(H,29,33)(H,28,31,32)
InChIKeyAFBARBOQEJYQMP-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.82
Rot. Bonds4

About N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide

N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 137116628) has the molecular formula C25H17N7O and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
PubChem CID137116628
Molecular FormulaC25H17N7O
Molecular Weight431.46 g/mol
Exact Mass431.15
IUPAC NameN-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5cccnc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C25H17N7O/c33-25(15-5-2-1-3-6-15)29-19-9-17(12-26-14-19)18-10-20-22(31-32-24(20)28-13-18)21-11-16-7-4-8-27-23(16)30-21/h1-14H,(H,27,30)(H,29,33)(H,28,31,32)
InChIKeyAFBARBOQEJYQMP-UHFFFAOYSA-N
XLogP4.82
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide (CID 137116628) is N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5cccnc5[nH]4)c3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The InChIKey is AFBARBOQEJYQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N7O/c33-25(15-5-2-1-3-6-15)29-19-9-17(12-26-14-19)18-10-20-22(31-32-24(20)28-13-18)21-11-16-7-4-8-27-23(16)30-21/h1-14H,(H,27,30)(H,29,33)(H,28,31,32).
What are the key properties of N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide has a molecular weight of 431.46 g/mol, XLogP of 4.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 137116628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).