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

C23H19F4N5O2 — CID 137066485

IUPAC3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C23H19F4N5O2/c24-15-10-13(4-5-14(15)23(25,26)27)22(34)29-16-2-1-3-17-20(16)21-30-19(33)11-18(32(21)31-17)12-6-8-28-9-7-12/h1-5,10-12,28H,6-9H2,(H,29,34)(H,30,33)
InChIKeyFVVSBAFTKNSVLG-UHFFFAOYSA-N
MW473.43 g/mol
LogP4.05
Rot. Bonds3

About 3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide

3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide (PubChem CID 137066485) has the molecular formula C23H19F4N5O2 and a molecular weight of 473.43 g/mol. Its IUPAC name is 3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide
PubChem CID137066485
Molecular FormulaC23H19F4N5O2
Molecular Weight473.43 g/mol
Exact Mass473.15
IUPAC Name3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C23H19F4N5O2/c24-15-10-13(4-5-14(15)23(25,26)27)22(34)29-16-2-1-3-17-20(16)21-30-19(33)11-18(32(21)31-17)12-6-8-28-9-7-12/h1-5,10-12,28H,6-9H2,(H,29,34)(H,30,33)
InChIKeyFVVSBAFTKNSVLG-UHFFFAOYSA-N
XLogP4.05
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide with MolForge

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Related Compounds

3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
CID 137066475
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
CID 137066399
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide
CID 137066471
(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137053939
3-nitro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide;hydrochloride
CID 137053871
2,2-dimethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137066368
2-methyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137053875
6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide
CID 137066459
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137066358
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride
CID 137053824
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)butanamide
CID 137066480
tert-butyl 4-[10-[(3-fluorobenzoyl)amino]-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 137053894

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide (CID 137066485) is 3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide is O=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is FVVSBAFTKNSVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N5O2/c24-15-10-13(4-5-14(15)23(25,26)27)22(34)29-16-2-1-3-17-20(16)21-30-19(33)11-18(32(21)31-17)12-6-8-28-9-7-12/h1-5,10-12,28H,6-9H2,(H,29,34)(H,30,33).
What are the key properties of 3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide?
3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 473.43 g/mol, XLogP of 4.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 137066485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).