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

C13H11N5O — CID 118237912

IUPACN-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3[nH]ncc3c2)ccn1
InChIInChI=1S/C13H11N5O/c1-8(19)17-12-5-9(2-3-14-12)10-4-11-7-16-18-13(11)15-6-10/h2-7H,1H3,(H,14,17,19)(H,15,16,18)
InChIKeyMVEKEVLTHHIPEB-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.98
Rot. Bonds2

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

N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]acetamide (PubChem CID 118237912) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]acetamide
PubChem CID118237912
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC NameN-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3[nH]ncc3c2)ccn1
InChIInChI=1S/C13H11N5O/c1-8(19)17-12-5-9(2-3-14-12)10-4-11-7-16-18-13(11)15-6-10/h2-7H,1H3,(H,14,17,19)(H,15,16,18)
InChIKeyMVEKEVLTHHIPEB-UHFFFAOYSA-N
XLogP1.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]acetamide (CID 118237912) is N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc3[nH]ncc3c2)ccn1.
What is the InChIKey of N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]acetamide?
The InChIKey is MVEKEVLTHHIPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-8(19)17-12-5-9(2-3-14-12)10-4-11-7-16-18-13(11)15-6-10/h2-7H,1H3,(H,14,17,19)(H,15,16,18).
What are the key properties of N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]acetamide?
N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]acetamide has a molecular weight of 253.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 118237912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).