8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

C34H30ClN7O2 — CID 135146575

IUPAC8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3c(Cl)cc(C=O)cn3n2)c1C
InChIInChI=1S/C34H30ClN7O2/c1-20-26(5-3-7-28(20)32-39-34-29(35)14-23(19-43)17-42(34)40-32)27-6-4-8-30(21(27)2)38-33-31-24(9-11-36-33)13-22(15-37-31)16-41-12-10-25(44)18-41/h3-9,11,13-15,17,19,25,44H,10,12,16,18H2,1-2H3,(H,36,38)/t25-/m1/s1
InChIKeyNXDYQDZRYTVKMQ-RUZDIDTESA-N
MW604.11 g/mol
LogP6.40
Rot. Bonds7

About 8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (PubChem CID 135146575) has the molecular formula C34H30ClN7O2 and a molecular weight of 604.11 g/mol. Its IUPAC name is 8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
PubChem CID135146575
Molecular FormulaC34H30ClN7O2
Molecular Weight604.11 g/mol
Exact Mass603.21
IUPAC Name8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3c(Cl)cc(C=O)cn3n2)c1C
InChIInChI=1S/C34H30ClN7O2/c1-20-26(5-3-7-28(20)32-39-34-29(35)14-23(19-43)17-42(34)40-32)27-6-4-8-30(21(27)2)38-33-31-24(9-11-36-33)13-22(15-37-31)16-41-12-10-25(44)18-41/h3-9,11,13-15,17,19,25,44H,10,12,16,18H2,1-2H3,(H,36,38)/t25-/m1/s1
InChIKeyNXDYQDZRYTVKMQ-RUZDIDTESA-N
XLogP6.40
TPSA108.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.11
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde with MolForge

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Related Compounds

8-[[2-chloro-3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]phenyl]methyl]-1,7-naphthyridine-3-carbaldehyde
CID 160618069
1-[[8-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 135145756
8-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridine-3-carbaldehyde
CID 135165280
N-[3-[3-[(3-formyl-1,7-naphthyridin-8-yl)amino]-2-methylphenyl]-2-methylphenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 135145829
1-[[8-[3-[3-[[7-[(2-hydroxypropylamino)methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 135145762
(3R)-1-[[8-(2-methylanilino)-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 169284112
3-[[7-chloro-2-[3-[3-[[3-[(3-hydroxypyrrolidin-1-yl)methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl-methylamino]propanoic acid
CID 135147993
(3R)-1-[[8-[3-[3-[(7-ethenylpyrido[3,2-d]pyrimidin-4-yl)methyl]-2-methylphenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 159898898
2-[3-[3-[[3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-(piperidin-1-ylmethyl)-1,3-benzoxazole-7-carbonitrile
CID 175787406
2-[2-chloro-3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]phenyl]-5-(pyrrolidin-1-ylmethyl)-1,3-benzoxazole-7-carbonitrile
CID 175787398
(3R)-1-[[7-cyano-2-[3-[3-[[3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 135147787
1-[[8-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 135146000

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The IUPAC name of 8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (CID 135146575) is 8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The canonical SMILES for 8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is Cc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3c(Cl)cc(C=O)cn3n2)c1C.
What is the InChIKey of 8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The InChIKey is NXDYQDZRYTVKMQ-RUZDIDTESA-N. The full InChI is InChI=1S/C34H30ClN7O2/c1-20-26(5-3-7-28(20)32-39-34-29(35)14-23(19-43)17-42(34)40-32)27-6-4-8-30(21(27)2)38-33-31-24(9-11-36-33)13-22(15-37-31)16-41-12-10-25(44)18-41/h3-9,11,13-15,17,19,25,44H,10,12,16,18H2,1-2H3,(H,36,38)/t25-/m1/s1.
What are the key properties of 8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde has a molecular weight of 604.11 g/mol, XLogP of 6.40, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 135146575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).