N-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide

C27H28N10O — CID 129244338

IUPACN-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cc3cc(C4=CCNCC4)cc(Cn4cnc5c(N)ncnc54)c3[nH]2)c(C)nn1
InChIInChI=1S/C27H28N10O/c1-15-7-22(16(2)36-35-15)27(38)30-11-21-10-19-8-18(17-3-5-29-6-4-17)9-20(23(19)34-21)12-37-14-33-24-25(28)31-13-32-26(24)37/h3,7-10,13-14,29,34H,4-6,11-12H2,1-2H3,(H,30,38)(H2,28,31,32)
InChIKeyLYMZTKXEQQUHQU-UHFFFAOYSA-N
MW508.59 g/mol
LogP2.65
Rot. Bonds6

About N-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide

N-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 129244338) has the molecular formula C27H28N10O and a molecular weight of 508.59 g/mol. Its IUPAC name is N-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide
PubChem CID129244338
Molecular FormulaC27H28N10O
Molecular Weight508.59 g/mol
Exact Mass508.24
IUPAC NameN-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cc3cc(C4=CCNCC4)cc(Cn4cnc5c(N)ncnc54)c3[nH]2)c(C)nn1
InChIInChI=1S/C27H28N10O/c1-15-7-22(16(2)36-35-15)27(38)30-11-21-10-19-8-18(17-3-5-29-6-4-17)9-20(23(19)34-21)12-37-14-33-24-25(28)31-13-32-26(24)37/h3,7-10,13-14,29,34H,4-6,11-12H2,1-2H3,(H,30,38)(H2,28,31,32)
InChIKeyLYMZTKXEQQUHQU-UHFFFAOYSA-N
XLogP2.65
TPSA152.32 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.59
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide with MolForge

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Related Compounds

N-[[5-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-7-[(6-aminopurin-9-yl)methyl]-1H-indol-2-yl]methyl]-3-methylpyridazine-4-carboxamide
CID 129244001
N-[[7-[(6-aminopurin-9-yl)methyl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-2-yl]methyl]-3-methylpyridazine-4-carboxamide
CID 129244454
N-[[7-[(6-aminopurin-9-yl)methyl]-5-(4,4-difluorocyclohexen-1-yl)-1H-indol-2-yl]methyl]-4-cyano-2-methylbenzamide
CID 129244629
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]-4-methylbenzamide
CID 129244563
N-[[7-[(6-aminopurin-9-yl)methyl]-5-(3-methoxyphenyl)-1H-indol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 129244323
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]butanamide
CID 129244077
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]-5-cyclopropyl-3-methyl-1,2-oxazole-4-carboxamide
CID 129244270
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]-4-fluorobenzamide
CID 129243958
N-[[7-[(6-aminopurin-9-yl)methyl]-5-[3-(dimethylcarbamoyl)phenyl]-1H-indol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 129244364
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]-4-cyanobenzamide
CID 129244569
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]-1H-indazole-5-carboxamide
CID 129244743
N-[[7-[(6-aminopurin-9-yl)methyl]-5-chloro-1H-indol-2-yl]methyl]-1,2,3-trimethylindole-5-carboxamide
CID 129244036

Frequently Asked Questions

What is the IUPAC name of N-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide (CID 129244338) is N-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)NCc2cc3cc(C4=CCNCC4)cc(Cn4cnc5c(N)ncnc54)c3[nH]2)c(C)nn1.
What is the InChIKey of N-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is LYMZTKXEQQUHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N10O/c1-15-7-22(16(2)36-35-15)27(38)30-11-21-10-19-8-18(17-3-5-29-6-4-17)9-20(23(19)34-21)12-37-14-33-24-25(28)31-13-32-26(24)37/h3,7-10,13-14,29,34H,4-6,11-12H2,1-2H3,(H,30,38)(H2,28,31,32).
What are the key properties of N-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide?
N-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 508.59 g/mol, XLogP of 2.65, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(6-aminopurin-9-yl)methyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-2-yl]methyl]-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 129244338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).