7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide

C22H18ClFN8O — CID 178092979

IUPAC7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)n1nc(-c2ccn3c(C(=O)Nc4cc(Cl)ccc4F)cnc3c2)c2c(N)ncnc21
InChIInChI=1S/C22H18ClFN8O/c1-11(2)32-21-18(20(25)27-10-28-21)19(30-32)12-5-6-31-16(9-26-17(31)7-12)22(33)29-15-8-13(23)3-4-14(15)24/h3-11H,1-2H3,(H,29,33)(H2,25,27,28)
InChIKeyOIJAFJCFCYNAKV-UHFFFAOYSA-N
MW464.89 g/mol
LogP4.35
Rot. Bonds4

About 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide

7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 178092979) has the molecular formula C22H18ClFN8O and a molecular weight of 464.89 g/mol. Its IUPAC name is 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID178092979
Molecular FormulaC22H18ClFN8O
Molecular Weight464.89 g/mol
Exact Mass464.13
IUPAC Name7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)n1nc(-c2ccn3c(C(=O)Nc4cc(Cl)ccc4F)cnc3c2)c2c(N)ncnc21
InChIInChI=1S/C22H18ClFN8O/c1-11(2)32-21-18(20(25)27-10-28-21)19(30-32)12-5-6-31-16(9-26-17(31)7-12)22(33)29-15-8-13(23)3-4-14(15)24/h3-11H,1-2H3,(H,29,33)(H2,25,27,28)
InChIKeyOIJAFJCFCYNAKV-UHFFFAOYSA-N
XLogP4.35
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.89
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 178092979) is 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide is CC(C)n1nc(-c2ccn3c(C(=O)Nc4cc(Cl)ccc4F)cnc3c2)c2c(N)ncnc21.
What is the InChIKey of 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OIJAFJCFCYNAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN8O/c1-11(2)32-21-18(20(25)27-10-28-21)19(30-32)12-5-6-31-16(9-26-17(31)7-12)22(33)29-15-8-13(23)3-4-14(15)24/h3-11H,1-2H3,(H,29,33)(H2,25,27,28).
What are the key properties of 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide?
7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 464.89 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 178092979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).