N-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide

C22H27N5O2 — CID 137053783

IUPACN-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide
SMILESO=C(NC1CCCCC1)c1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12
InChIInChI=1S/C22H27N5O2/c28-19-13-18(14-9-11-23-12-10-14)27-21(25-19)20-16(7-4-8-17(20)26-27)22(29)24-15-5-2-1-3-6-15/h4,7-8,13-15,23H,1-3,5-6,9-12H2,(H,24,29)(H,25,28)
InChIKeyRDDPIVJMPUETIV-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.71
Rot. Bonds3

About N-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide

N-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide (PubChem CID 137053783) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide
PubChem CID137053783
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide
SMILESO=C(NC1CCCCC1)c1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12
InChIInChI=1S/C22H27N5O2/c28-19-13-18(14-9-11-23-12-10-14)27-21(25-19)20-16(7-4-8-17(20)26-27)22(29)24-15-5-2-1-3-6-15/h4,7-8,13-15,23H,1-3,5-6,9-12H2,(H,24,29)(H,25,28)
InChIKeyRDDPIVJMPUETIV-UHFFFAOYSA-N
XLogP2.71
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide
CID 137053869
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride
CID 137053824
(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)benzamide
CID 137066399
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide
CID 137066471
10-ethynyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 155544193
2,2-dimethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137066368
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137066358
10-(4-methylphenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 147017418
10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane
CID 144841590
1-[3-(dimethylamino)propyl]-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137066414
3-nitro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide;hydrochloride
CID 137053871

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide?
The IUPAC name of N-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide (CID 137053783) is N-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide?
The canonical SMILES for N-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide is O=C(NC1CCCCC1)c1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.
What is the InChIKey of N-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide?
The InChIKey is RDDPIVJMPUETIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c28-19-13-18(14-9-11-23-12-10-14)27-21(25-19)20-16(7-4-8-17(20)26-27)22(29)24-15-5-2-1-3-6-15/h4,7-8,13-15,23H,1-3,5-6,9-12H2,(H,24,29)(H,25,28).
What are the key properties of N-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide?
N-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide is sourced from PubChem (CID 137053783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).