4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide

C14H14BrN5O — CID 38714322

IUPAC4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3cc(Br)c[nH]3)cnc21
InChIInChI=1S/C14H14BrN5O/c1-8(2)20-13-9(5-18-20)3-11(7-17-13)19-14(21)12-4-10(15)6-16-12/h3-8,16H,1-2H3,(H,19,21)
InChIKeyBSFRPQCXXWWNLV-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.36
Rot. Bonds3

About 4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide

4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide (PubChem CID 38714322) has the molecular formula C14H14BrN5O and a molecular weight of 348.20 g/mol. Its IUPAC name is 4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide
PubChem CID38714322
Molecular FormulaC14H14BrN5O
Molecular Weight348.20 g/mol
Exact Mass347.04
IUPAC Name4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3cc(Br)c[nH]3)cnc21
InChIInChI=1S/C14H14BrN5O/c1-8(2)20-13-9(5-18-20)3-11(7-17-13)19-14(21)12-4-10(15)6-16-12/h3-8,16H,1-2H3,(H,19,21)
InChIKeyBSFRPQCXXWWNLV-UHFFFAOYSA-N
XLogP3.36
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide (CID 38714322) is 4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide is CC(C)n1ncc2cc(NC(=O)c3cc(Br)c[nH]3)cnc21.
What is the InChIKey of 4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is BSFRPQCXXWWNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O/c1-8(2)20-13-9(5-18-20)3-11(7-17-13)19-14(21)12-4-10(15)6-16-12/h3-8,16H,1-2H3,(H,19,21).
What are the key properties of 4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 38714322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).