1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide

C15H13N5O — CID 118946326

IUPAC1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cnc3[nH]ncc3c2)CC1c1cccnc1
InChIInChI=1S/C15H13N5O/c16-14(21)15(5-12(15)9-2-1-3-17-6-9)11-4-10-7-19-20-13(10)18-8-11/h1-4,6-8,12H,5H2,(H2,16,21)(H,18,19,20)
InChIKeyBRXSAAHFWRTADB-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.26
Rot. Bonds3

About 1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide

1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 118946326) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID118946326
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cnc3[nH]ncc3c2)CC1c1cccnc1
InChIInChI=1S/C15H13N5O/c16-14(21)15(5-12(15)9-2-1-3-17-6-9)11-4-10-7-19-20-13(10)18-8-11/h1-4,6-8,12H,5H2,(H2,16,21)(H,18,19,20)
InChIKeyBRXSAAHFWRTADB-UHFFFAOYSA-N
XLogP1.26
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 118946326) is 1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide is NC(=O)C1(c2cnc3[nH]ncc3c2)CC1c1cccnc1.
What is the InChIKey of 1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is BRXSAAHFWRTADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-14(21)15(5-12(15)9-2-1-3-17-6-9)11-4-10-7-19-20-13(10)18-8-11/h1-4,6-8,12H,5H2,(H2,16,21)(H,18,19,20).
What are the key properties of 1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 118946326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).