N-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide

C24H21N7O4 — CID 139493855

IUPACN-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide
SMILESCOCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)NC5CC5)cn4)nn23)no1
InChIInChI=1S/C24H21N7O4/c1-33-13-17-10-20(30-35-17)22-28-27-21-18-4-2-3-5-19(18)24(29-31(21)22)34-12-16-7-6-14(11-25-16)23(32)26-15-8-9-15/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,26,32)
InChIKeyDHFPKEXAZWUYDQ-UHFFFAOYSA-N
MW471.48 g/mol
LogP2.95
Rot. Bonds8

About N-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide

N-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 139493855) has the molecular formula C24H21N7O4 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID139493855
Molecular FormulaC24H21N7O4
Molecular Weight471.48 g/mol
Exact Mass471.17
IUPAC NameN-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide
SMILESCOCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)NC5CC5)cn4)nn23)no1
InChIInChI=1S/C24H21N7O4/c1-33-13-17-10-20(30-35-17)22-28-27-21-18-4-2-3-5-19(18)24(29-31(21)22)34-12-16-7-6-14(11-25-16)23(32)26-15-8-9-15/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,26,32)
InChIKeyDHFPKEXAZWUYDQ-UHFFFAOYSA-N
XLogP2.95
TPSA129.56 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-bicyclo[2.1.1]hexanyl]-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide
CID 170113599
[6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-(4-methyl-3-methylidenepiperazin-1-yl)methanone
CID 167593170
6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-propan-2-ylpyridine-3-carboxamide
CID 146622266
6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide
CID 129234789
6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carbaldehyde
CID 153494807
methyl 2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxylate
CID 175878042
1,4-dimethylpiperazine;6-[[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carbaldehyde
CID 145324816
1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone
CID 162692177
(2S)-4-methylsulfanyl-2-[[3-[6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazol-5-yl]amino]butanoic acid
CID 121362264
6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid
CID 139489435
N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66155543
2-[[6-(5-methyl-1,2-oxazol-3-yl)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl]oxymethyl]benzonitrile
CID 18413895

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide (CID 139493855) is N-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide is COCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)NC5CC5)cn4)nn23)no1.
What is the InChIKey of N-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is DHFPKEXAZWUYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O4/c1-33-13-17-10-20(30-35-17)22-28-27-21-18-4-2-3-5-19(18)24(29-31(21)22)34-12-16-7-6-14(11-25-16)23(32)26-15-8-9-15/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,26,32).
What are the key properties of N-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide?
N-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 139493855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).