3-chloro-4-[4-[4-(1-ethylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide

C24H23ClN8O — CID 67501621

IUPAC3-chloro-4-[4-[4-(1-ethylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
SMILESCCn1cc(-c2cn(-c3ccnc4c3c(C(C)C)nn4-c3ccc(C(N)=O)cc3Cl)cn2)cn1
InChIInChI=1S/C24H23ClN8O/c1-4-32-11-16(10-29-32)18-12-31(13-28-18)20-7-8-27-24-21(20)22(14(2)3)30-33(24)19-6-5-15(23(26)34)9-17(19)25/h5-14H,4H2,1-3H3,(H2,26,34)
InChIKeyUSYQOSAVOHSTFF-UHFFFAOYSA-N
MW474.96 g/mol
LogP4.37
Rot. Bonds6

About 3-chloro-4-[4-[4-(1-ethylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide

3-chloro-4-[4-[4-(1-ethylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide (PubChem CID 67501621) has the molecular formula C24H23ClN8O and a molecular weight of 474.96 g/mol. Its IUPAC name is 3-chloro-4-[4-[4-(1-ethylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[4-[4-(1-ethylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
PubChem CID67501621
Molecular FormulaC24H23ClN8O
Molecular Weight474.96 g/mol
Exact Mass474.17
IUPAC Name3-chloro-4-[4-[4-(1-ethylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
SMILESCCn1cc(-c2cn(-c3ccnc4c3c(C(C)C)nn4-c3ccc(C(N)=O)cc3Cl)cn2)cn1
InChIInChI=1S/C24H23ClN8O/c1-4-32-11-16(10-29-32)18-12-31(13-28-18)20-7-8-27-24-21(20)22(14(2)3)30-33(24)19-6-5-15(23(26)34)9-17(19)25/h5-14H,4H2,1-3H3,(H2,26,34)
InChIKeyUSYQOSAVOHSTFF-UHFFFAOYSA-N
XLogP4.37
TPSA109.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.96
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-[4-(1-ethylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide?
The IUPAC name of 3-chloro-4-[4-[4-(1-ethylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide (CID 67501621) is 3-chloro-4-[4-[4-(1-ethylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide.
What is the SMILES notation for 3-chloro-4-[4-[4-(1-ethylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide?
The canonical SMILES for 3-chloro-4-[4-[4-(1-ethylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide is CCn1cc(-c2cn(-c3ccnc4c3c(C(C)C)nn4-c3ccc(C(N)=O)cc3Cl)cn2)cn1.
What is the InChIKey of 3-chloro-4-[4-[4-(1-ethylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide?
The InChIKey is USYQOSAVOHSTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN8O/c1-4-32-11-16(10-29-32)18-12-31(13-28-18)20-7-8-27-24-21(20)22(14(2)3)30-33(24)19-6-5-15(23(26)34)9-17(19)25/h5-14H,4H2,1-3H3,(H2,26,34).
What are the key properties of 3-chloro-4-[4-[4-(1-ethylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide?
3-chloro-4-[4-[4-(1-ethylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide has a molecular weight of 474.96 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-[4-(1-ethylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide is sourced from PubChem (CID 67501621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).