N-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide

C23H23N5O2 — CID 137053869

IUPACN-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide
SMILESCc1cccc(NC(=O)c2cccc3nn4c(C5CCNCC5)cc(=O)[nH]c4c23)c1
InChIInChI=1S/C23H23N5O2/c1-14-4-2-5-16(12-14)25-23(30)17-6-3-7-18-21(17)22-26-20(29)13-19(28(22)27-18)15-8-10-24-11-9-15/h2-7,12-13,15,24H,8-11H2,1H3,(H,25,30)(H,26,29)
InChIKeyGUUONDUFRYZVFV-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.20
Rot. Bonds3

About N-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide

N-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide (PubChem CID 137053869) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide
PubChem CID137053869
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide
SMILESCc1cccc(NC(=O)c2cccc3nn4c(C5CCNCC5)cc(=O)[nH]c4c23)c1
InChIInChI=1S/C23H23N5O2/c1-14-4-2-5-16(12-14)25-23(30)17-6-3-7-18-21(17)22-26-20(29)13-19(28(22)27-18)15-8-10-24-11-9-15/h2-7,12-13,15,24H,8-11H2,1H3,(H,25,30)(H,26,29)
InChIKeyGUUONDUFRYZVFV-UHFFFAOYSA-N
XLogP3.20
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide
CID 137053783
(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137053939
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide
CID 137066471
10-(4-methylphenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 147017418
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137066358
2-methyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137053875
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)butanamide
CID 137066480
10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane
CID 144841590
10-bromo-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 136962520
3-nitro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide;hydrochloride
CID 137053871
1-[3-(dimethylamino)propyl]-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137066414
3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide
CID 137066485

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide (CID 137053869) is N-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide is Cc1cccc(NC(=O)c2cccc3nn4c(C5CCNCC5)cc(=O)[nH]c4c23)c1.
What is the InChIKey of N-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide?
The InChIKey is GUUONDUFRYZVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-4-2-5-16(12-14)25-23(30)17-6-3-7-18-21(17)22-26-20(29)13-19(28(22)27-18)15-8-10-24-11-9-15/h2-7,12-13,15,24H,8-11H2,1H3,(H,25,30)(H,26,29).
What are the key properties of N-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide?
N-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide is sourced from PubChem (CID 137053869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).