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

C21H17N7O — CID 137145052

IUPACN-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5cnccc5[nH]4)c3c2)c1
InChIInChI=1S/C21H17N7O/c1-2-19(29)25-15-5-12(8-23-11-15)13-6-16-20(27-28-21(16)24-10-13)18-7-14-9-22-4-3-17(14)26-18/h3-11,26H,2H2,1H3,(H,25,29)(H,24,27,28)
InChIKeyVBQGWDVDTGPQLT-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.91
Rot. Bonds4

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

N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 137145052) has the molecular formula C21H17N7O and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
PubChem CID137145052
Molecular FormulaC21H17N7O
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC NameN-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5cnccc5[nH]4)c3c2)c1
InChIInChI=1S/C21H17N7O/c1-2-19(29)25-15-5-12(8-23-11-15)13-6-16-20(27-28-21(16)24-10-13)18-7-14-9-22-4-3-17(14)26-18/h3-11,26H,2H2,1H3,(H,25,29)(H,24,27,28)
InChIKeyVBQGWDVDTGPQLT-UHFFFAOYSA-N
XLogP3.91
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.91
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[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 137145052) is N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5cnccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The InChIKey is VBQGWDVDTGPQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O/c1-2-19(29)25-15-5-12(8-23-11-15)13-6-16-20(27-28-21(16)24-10-13)18-7-14-9-22-4-3-17(14)26-18/h3-11,26H,2H2,1H3,(H,25,29)(H,24,27,28).
What are the key properties of N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 383.42 g/mol, XLogP of 3.91, 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[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137145052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).