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

C28H30N8O — CID 137116929

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(N6CCCCC6)ccnc5[nH]4)c3c2)c1
InChIInChI=1S/C28H30N8O/c1-28(2,3)27(37)32-19-11-17(14-29-16-19)18-12-21-24(34-35-26(21)31-15-18)22-13-20-23(7-8-30-25(20)33-22)36-9-5-4-6-10-36/h7-8,11-16H,4-6,9-10H2,1-3H3,(H,30,33)(H,32,37)(H,31,34,35)
InChIKeyNPDJBGJUOGZBPA-UHFFFAOYSA-N
MW494.60 g/mol
LogP5.54
Rot. Bonds4

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

2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 137116929) has the molecular formula C28H30N8O and a molecular weight of 494.60 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
PubChem CID137116929
Molecular FormulaC28H30N8O
Molecular Weight494.60 g/mol
Exact Mass494.25
IUPAC Name2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(N6CCCCC6)ccnc5[nH]4)c3c2)c1
InChIInChI=1S/C28H30N8O/c1-28(2,3)27(37)32-19-11-17(14-29-16-19)18-12-21-24(34-35-26(21)31-15-18)22-13-20-23(7-8-30-25(20)33-22)36-9-5-4-6-10-36/h7-8,11-16H,4-6,9-10H2,1-3H3,(H,30,33)(H,32,37)(H,31,34,35)
InChIKeyNPDJBGJUOGZBPA-UHFFFAOYSA-N
XLogP5.54
TPSA115.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 137116929) is 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is CC(C)(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(N6CCCCC6)ccnc5[nH]4)c3c2)c1.
What is the InChIKey of 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The InChIKey is NPDJBGJUOGZBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O/c1-28(2,3)27(37)32-19-11-17(14-29-16-19)18-12-21-24(34-35-26(21)31-15-18)22-13-20-23(7-8-30-25(20)33-22)36-9-5-4-6-10-36/h7-8,11-16H,4-6,9-10H2,1-3H3,(H,30,33)(H,32,37)(H,31,34,35).
What are the key properties of 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 494.60 g/mol, XLogP of 5.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137116929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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