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

C22H21N5O2 — CID 137066399

IUPACN-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
SMILESO=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)c1ccccc1
InChIInChI=1S/C22H21N5O2/c28-19-13-18(14-9-11-23-12-10-14)27-21(25-19)20-16(7-4-8-17(20)26-27)24-22(29)15-5-2-1-3-6-15/h1-8,13-14,23H,9-12H2,(H,24,29)(H,25,28)
InChIKeyNTIQEKAPSMCBFQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.90
Rot. Bonds3

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

N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide (PubChem CID 137066399) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide.

Molecular Properties

Compound NameN-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
PubChem CID137066399
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
SMILESO=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)c1ccccc1
InChIInChI=1S/C22H21N5O2/c28-19-13-18(14-9-11-23-12-10-14)27-21(25-19)20-16(7-4-8-17(20)26-27)24-22(29)15-5-2-1-3-6-15/h1-8,13-14,23H,9-12H2,(H,24,29)(H,25,28)
InChIKeyNTIQEKAPSMCBFQ-UHFFFAOYSA-N
XLogP2.90
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide
CID 137066471
3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
CID 137066475
(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
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
2,2-dimethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137066368
6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide
CID 137066459
3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide
CID 137066485
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
1-[3-(dimethylamino)propyl]-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137066414

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
The IUPAC name of N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide (CID 137066399) is N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide.
What is the SMILES notation for N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
The canonical SMILES for 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)c1ccccc1.
What is the InChIKey of N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
The InChIKey is NTIQEKAPSMCBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-19-13-18(14-9-11-23-12-10-14)27-21(25-19)20-16(7-4-8-17(20)26-27)24-22(29)15-5-2-1-3-6-15/h1-8,13-14,23H,9-12H2,(H,24,29)(H,25,28).
What are the key properties of N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide has a molecular weight of 387.44 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide is sourced from PubChem (CID 137066399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).