N-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide

C21H26N4O2 — CID 5075450

IUPACN-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCc1cc(=O)nc2c3ccccc3n(C(C)C(=O)NC3CCCCCC3)n12
InChIInChI=1S/C21H26N4O2/c1-14-13-19(26)23-20-17-11-7-8-12-18(17)25(24(14)20)15(2)21(27)22-16-9-5-3-4-6-10-16/h7-8,11-13,15-16H,3-6,9-10H2,1-2H3,(H,22,27)
InChIKeyNLLZWQLODMPVNL-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.36
Rot. Bonds3

About N-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide

N-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (PubChem CID 5075450) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
PubChem CID5075450
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCc1cc(=O)nc2c3ccccc3n(C(C)C(=O)NC3CCCCCC3)n12
InChIInChI=1S/C21H26N4O2/c1-14-13-19(26)23-20-17-11-7-8-12-18(17)25(24(14)20)15(2)21(27)22-16-9-5-3-4-6-10-16/h7-8,11-13,15-16H,3-6,9-10H2,1-2H3,(H,22,27)
InChIKeyNLLZWQLODMPVNL-UHFFFAOYSA-N
XLogP3.36
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The IUPAC name of N-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (CID 5075450) is N-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.
What is the SMILES notation for N-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The canonical SMILES for N-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is Cc1cc(=O)nc2c3ccccc3n(C(C)C(=O)NC3CCCCCC3)n12.
What is the InChIKey of N-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The InChIKey is NLLZWQLODMPVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-13-19(26)23-20-17-11-7-8-12-18(17)25(24(14)20)15(2)21(27)22-16-9-5-3-4-6-10-16/h7-8,11-13,15-16H,3-6,9-10H2,1-2H3,(H,22,27).
What are the key properties of N-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
N-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide has a molecular weight of 366.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is sourced from PubChem (CID 5075450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).