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

C22H20FN5O2 — CID 137053970

IUPAC2-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
SMILESO=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)c1ccccc1F
InChIInChI=1S/C22H20FN5O2/c23-15-5-2-1-4-14(15)22(30)25-16-6-3-7-17-20(16)21-26-19(29)12-18(28(21)27-17)13-8-10-24-11-9-13/h1-7,12-13,24H,8-11H2,(H,25,30)(H,26,29)
InChIKeyYRHFUGKOAKAHED-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.03
Rot. Bonds3

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

2-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide (PubChem CID 137053970) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
PubChem CID137053970
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name2-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
SMILESO=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)c1ccccc1F
InChIInChI=1S/C22H20FN5O2/c23-15-5-2-1-4-14(15)22(30)25-16-6-3-7-17-20(16)21-26-19(29)12-18(28(21)27-17)13-8-10-24-11-9-13/h1-7,12-13,24H,8-11H2,(H,25,30)(H,26,29)
InChIKeyYRHFUGKOAKAHED-UHFFFAOYSA-N
XLogP3.03
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
The IUPAC name of 2-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide (CID 137053970) is 2-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
The canonical SMILES for 2-fluoro-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)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
The InChIKey is YRHFUGKOAKAHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-15-5-2-1-4-14(15)22(30)25-16-6-3-7-17-20(16)21-26-19(29)12-18(28(21)27-17)13-8-10-24-11-9-13/h1-7,12-13,24H,8-11H2,(H,25,30)(H,26,29).
What are the key properties of 2-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
2-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide has a molecular weight of 405.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide is sourced from PubChem (CID 137053970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).