N-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide

C24H25ClN4O2 — CID 41447091

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CCc1c(C)nc2c3ccccc3nn2c1C
InChIInChI=1S/C24H25ClN4O2/c1-15-19(16(2)29-24(26-15)20-7-5-6-8-21(20)27-29)10-12-23(30)28(3)14-17-13-18(25)9-11-22(17)31-4/h5-9,11,13H,10,12,14H2,1-4H3
InChIKeyIQADRWUNVXPCJN-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.75
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide

N-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide (PubChem CID 41447091) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
PubChem CID41447091
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CCc1c(C)nc2c3ccccc3nn2c1C
InChIInChI=1S/C24H25ClN4O2/c1-15-19(16(2)29-24(26-15)20-7-5-6-8-21(20)27-29)10-12-23(30)28(3)14-17-13-18(25)9-11-22(17)31-4/h5-9,11,13H,10,12,14H2,1-4H3
InChIKeyIQADRWUNVXPCJN-UHFFFAOYSA-N
XLogP4.75
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylpropanamide
CID 41437636
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
CID 112806596
N-(3-amino-2,2-dimethylpropyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
CID 119654934
N-(1-cyclopropylethyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
CID 24658429
N-[[4-(dimethylamino)phenyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-ethylpropanamide
CID 55475078
(2-ethoxyphenyl) 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate
CID 55476602
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(4-methoxyphenyl)propanamide
CID 17480071
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 46530055
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(4-methoxy-3-sulfamoylphenyl)propanamide
CID 24583642
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 17482492
N'-acetyl-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanehydrazide
CID 43067931
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate
CID 37238666

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide (CID 41447091) is N-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide is COc1ccc(Cl)cc1CN(C)C(=O)CCc1c(C)nc2c3ccccc3nn2c1C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide?
The InChIKey is IQADRWUNVXPCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-15-19(16(2)29-24(26-15)20-7-5-6-8-21(20)27-29)10-12-23(30)28(3)14-17-13-18(25)9-11-22(17)31-4/h5-9,11,13H,10,12,14H2,1-4H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide has a molecular weight of 436.94 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 41447091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).