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

C18H21N5O2 — CID 137066358

IUPACN-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
SMILESCCC(=O)Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12
InChIInChI=1S/C18H21N5O2/c1-2-15(24)20-12-4-3-5-13-17(12)18-21-16(25)10-14(23(18)22-13)11-6-8-19-9-7-11/h3-5,10-11,19H,2,6-9H2,1H3,(H,20,24)(H,21,25)
InChIKeyWFGXODNDOLUNJO-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.99
Rot. Bonds3

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

N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide (PubChem CID 137066358) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide.

Molecular Properties

Compound NameN-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
PubChem CID137066358
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
SMILESCCC(=O)Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12
InChIInChI=1S/C18H21N5O2/c1-2-15(24)20-12-4-3-5-13-17(12)18-21-16(25)10-14(23(18)22-13)11-6-8-19-9-7-11/h3-5,10-11,19H,2,6-9H2,1H3,(H,20,24)(H,21,25)
InChIKeyWFGXODNDOLUNJO-UHFFFAOYSA-N
XLogP1.99
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.99
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)butanamide
CID 137066480
(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137053939
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
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)cyclopentanecarboxamide;hydrochloride
CID 137053824
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide
CID 137066471
1-[3-(dimethylamino)propyl]-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137066414
3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
CID 137066475
1-(furan-2-ylmethyl)-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137066487
6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide
CID 137066459
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-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide?
The IUPAC name of N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide (CID 137066358) is N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide.
What is the SMILES notation for N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide?
The canonical SMILES for N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide is CCC(=O)Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.
What is the InChIKey of N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide?
The InChIKey is WFGXODNDOLUNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-2-15(24)20-12-4-3-5-13-17(12)18-21-16(25)10-14(23(18)22-13)11-6-8-19-9-7-11/h3-5,10-11,19H,2,6-9H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide?
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide has a molecular weight of 339.40 g/mol, XLogP of 1.99, 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)propanamide is sourced from PubChem (CID 137066358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).