2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide

C22H19F2N5O2 — CID 137066346

IUPAC2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
SMILESO=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)c1ccc(F)cc1F
InChIInChI=1S/C22H19F2N5O2/c23-13-4-5-14(15(24)10-13)22(31)26-16-2-1-3-17-20(16)21-27-19(30)11-18(29(21)28-17)12-6-8-25-9-7-12/h1-5,10-12,25H,6-9H2,(H,26,31)(H,27,30)
InChIKeyAHGYWSXMIJYYDC-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.17
Rot. Bonds3

About 2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide

2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide (PubChem CID 137066346) has the molecular formula C22H19F2N5O2 and a molecular weight of 423.42 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
PubChem CID137066346
Molecular FormulaC22H19F2N5O2
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC Name2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
SMILESO=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)c1ccc(F)cc1F
InChIInChI=1S/C22H19F2N5O2/c23-13-4-5-14(15(24)10-13)22(31)26-16-2-1-3-17-20(16)21-27-19(30)11-18(29(21)28-17)12-6-8-25-9-7-12/h1-5,10-12,25H,6-9H2,(H,26,31)(H,27,30)
InChIKeyAHGYWSXMIJYYDC-UHFFFAOYSA-N
XLogP3.17
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
The IUPAC name of 2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide (CID 137066346) is 2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide is O=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
The InChIKey is AHGYWSXMIJYYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2/c23-13-4-5-14(15(24)10-13)22(31)26-16-2-1-3-17-20(16)21-27-19(30)11-18(29(21)28-17)12-6-8-25-9-7-12/h1-5,10-12,25H,6-9H2,(H,26,31)(H,27,30).
What are the key properties of 2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide has a molecular weight of 423.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide is sourced from PubChem (CID 137066346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).