N-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]acetamide

C22H18N6O — CID 71014613

IUPACN-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc(Cc3cccc4[nH]ncc34)nc3[nH]ncc23)c1
InChIInChI=1S/C22H18N6O/c1-13(29)25-16-6-2-4-14(8-16)18-10-17(26-22-20(18)12-24-28-22)9-15-5-3-7-21-19(15)11-23-27-21/h2-8,10-12H,9H2,1H3,(H,23,27)(H,25,29)(H,24,26,28)
InChIKeyASDVVDMOZQHAEY-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.05
Rot. Bonds4

About N-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]acetamide

N-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]acetamide (PubChem CID 71014613) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]acetamide
PubChem CID71014613
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC NameN-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc(Cc3cccc4[nH]ncc34)nc3[nH]ncc23)c1
InChIInChI=1S/C22H18N6O/c1-13(29)25-16-6-2-4-14(8-16)18-10-17(26-22-20(18)12-24-28-22)9-15-5-3-7-21-19(15)11-23-27-21/h2-8,10-12H,9H2,1H3,(H,23,27)(H,25,29)(H,24,26,28)
InChIKeyASDVVDMOZQHAEY-UHFFFAOYSA-N
XLogP4.05
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]acetamide (CID 71014613) is N-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cc(Cc3cccc4[nH]ncc34)nc3[nH]ncc23)c1.
What is the InChIKey of N-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]acetamide?
The InChIKey is ASDVVDMOZQHAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-13(29)25-16-6-2-4-14(8-16)18-10-17(26-22-20(18)12-24-28-22)9-15-5-3-7-21-19(15)11-23-27-21/h2-8,10-12H,9H2,1H3,(H,23,27)(H,25,29)(H,24,26,28).
What are the key properties of N-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]acetamide?
N-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]acetamide has a molecular weight of 382.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(1H-indazol-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]acetamide is sourced from PubChem (CID 71014613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).