6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C20H15N7O2 — CID 70726207

IUPAC6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2ncc(-c3cc(NCc4cccnc4)nc4[nH]ccc34)cn2n1
InChIInChI=1S/C20H15N7O2/c28-20(29)16-7-18-24-10-13(11-27(18)26-16)15-6-17(25-19-14(15)3-5-22-19)23-9-12-2-1-4-21-8-12/h1-8,10-11H,9H2,(H,28,29)(H2,22,23,25)
InChIKeyNOFYGXHTQDTAAK-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.98
Rot. Bonds5

About 6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 70726207) has the molecular formula C20H15N7O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID70726207
Molecular FormulaC20H15N7O2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC Name6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2ncc(-c3cc(NCc4cccnc4)nc4[nH]ccc34)cn2n1
InChIInChI=1S/C20H15N7O2/c28-20(29)16-7-18-24-10-13(11-27(18)26-16)15-6-17(25-19-14(15)3-5-22-19)23-9-12-2-1-4-21-8-12/h1-8,10-11H,9H2,(H,28,29)(H2,22,23,25)
InChIKeyNOFYGXHTQDTAAK-UHFFFAOYSA-N
XLogP2.98
TPSA121.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 70726207) is 6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2ncc(-c3cc(NCc4cccnc4)nc4[nH]ccc34)cn2n1.
What is the InChIKey of 6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is NOFYGXHTQDTAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O2/c28-20(29)16-7-18-24-10-13(11-27(18)26-16)15-6-17(25-19-14(15)3-5-22-19)23-9-12-2-1-4-21-8-12/h1-8,10-11H,9H2,(H,28,29)(H2,22,23,25).
What are the key properties of 6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 385.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 70726207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).