N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide

C21H29N5O2 — CID 126457281

IUPACN-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide
SMILESCCC(C(=O)NCCN(CC)CC)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C21H29N5O2/c1-5-17(21(28)22-12-13-24(6-2)7-3)26-18-11-9-8-10-16(18)20-23-19(27)14-15(4)25(20)26/h8-11,14,17H,5-7,12-13H2,1-4H3,(H,22,28)
InChIKeyIKHUOTYZSPNTLO-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.37
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide

N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide (PubChem CID 126457281) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide
PubChem CID126457281
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide
SMILESCCC(C(=O)NCCN(CC)CC)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C21H29N5O2/c1-5-17(21(28)22-12-13-24(6-2)7-3)26-18-11-9-8-10-16(18)20-23-19(27)14-15(4)25(20)26/h8-11,14,17H,5-7,12-13H2,1-4H3,(H,22,28)
InChIKeyIKHUOTYZSPNTLO-UHFFFAOYSA-N
XLogP2.37
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide (CID 126457281) is N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide is CCC(C(=O)NCCN(CC)CC)n1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide?
The InChIKey is IKHUOTYZSPNTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-5-17(21(28)22-12-13-24(6-2)7-3)26-18-11-9-8-10-16(18)20-23-19(27)14-15(4)25(20)26/h8-11,14,17H,5-7,12-13H2,1-4H3,(H,22,28).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide?
N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide has a molecular weight of 383.50 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide is sourced from PubChem (CID 126457281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).