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

C22H21N5O3 — CID 5083541

IUPACN-(4-acetamidophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)n2c3ccccc3c3nc(=O)cc(C)n32)cc1
InChIInChI=1S/C22H21N5O3/c1-13-12-20(29)25-21-18-6-4-5-7-19(18)27(26(13)21)14(2)22(30)24-17-10-8-16(9-11-17)23-15(3)28/h4-12,14H,1-3H3,(H,23,28)(H,24,30)
InChIKeyLPOWBWKLQDBKET-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.12
Rot. Bonds4

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

N-(4-acetamidophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (PubChem CID 5083541) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
PubChem CID5083541
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-(4-acetamidophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)n2c3ccccc3c3nc(=O)cc(C)n32)cc1
InChIInChI=1S/C22H21N5O3/c1-13-12-20(29)25-21-18-6-4-5-7-19(18)27(26(13)21)14(2)22(30)24-17-10-8-16(9-11-17)23-15(3)28/h4-12,14H,1-3H3,(H,23,28)(H,24,30)
InChIKeyLPOWBWKLQDBKET-UHFFFAOYSA-N
XLogP3.12
TPSA97.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (CID 5083541) is N-(4-acetamidophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is CC(=O)Nc1ccc(NC(=O)C(C)n2c3ccccc3c3nc(=O)cc(C)n32)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The InChIKey is LPOWBWKLQDBKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-13-12-20(29)25-21-18-6-4-5-7-19(18)27(26(13)21)14(2)22(30)24-17-10-8-16(9-11-17)23-15(3)28/h4-12,14H,1-3H3,(H,23,28)(H,24,30).
What are the key properties of N-(4-acetamidophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
N-(4-acetamidophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide has a molecular weight of 403.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is sourced from PubChem (CID 5083541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).