N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide

C23H18Cl2N8O2 — CID 129098553

IUPACN-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
SMILESNc1noc2c(N3CCC(NC(=O)c4ccc(-c5ccc6nncn6c5)cc4Cl)C3)ncc(Cl)c12
InChIInChI=1S/C23H18Cl2N8O2/c24-16-7-12(13-2-4-18-30-28-11-33(18)9-13)1-3-15(16)23(34)29-14-5-6-32(10-14)22-20-19(17(25)8-27-22)21(26)31-35-20/h1-4,7-9,11,14H,5-6,10H2,(H2,26,31)(H,29,34)
InChIKeyPJCAVVLWGQHNLR-UHFFFAOYSA-N
MW509.36 g/mol
LogP3.83
Rot. Bonds4

About N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide

N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide (PubChem CID 129098553) has the molecular formula C23H18Cl2N8O2 and a molecular weight of 509.36 g/mol. Its IUPAC name is N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide.

Molecular Properties

Compound NameN-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
PubChem CID129098553
Molecular FormulaC23H18Cl2N8O2
Molecular Weight509.36 g/mol
Exact Mass508.09
IUPAC NameN-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
SMILESNc1noc2c(N3CCC(NC(=O)c4ccc(-c5ccc6nncn6c5)cc4Cl)C3)ncc(Cl)c12
InChIInChI=1S/C23H18Cl2N8O2/c24-16-7-12(13-2-4-18-30-28-11-33(18)9-13)1-3-15(16)23(34)29-14-5-6-32(10-14)22-20-19(17(25)8-27-22)21(26)31-35-20/h1-4,7-9,11,14H,5-6,10H2,(H2,26,31)(H,29,34)
InChIKeyPJCAVVLWGQHNLR-UHFFFAOYSA-N
XLogP3.83
TPSA127.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide with MolForge

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Related Compounds

N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-(2-cyanopyrimidin-5-yl)benzamide
CID 118456889
N-[(3R)-1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-pyrazin-2-ylbenzamide
CID 118456927
N-[(3R)-1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-(6-imino-1-methanimidoyl-3-pyridinyl)benzamide
CID 167106495
N-[(3R)-1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-[5-(2-hydroxyethyl)-3-pyridinyl]benzamide
CID 118456866
N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-purin-9-ylbenzamide
CID 118456884
N-[(3R)-1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-(1-ethyl-5-oxo-1,2,4-triazol-4-yl)benzamide
CID 129098546
N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-[5-oxo-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-4-yl]benzamide
CID 129098517
N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-[3-(2-hydroxyethyl)-5-oxo-1H-1,2,4-triazol-4-yl]benzamide
CID 118456977
N-[(3R)-1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-[methanimidoyl-(2,2,2-trifluoroethanimidoyl)amino]benzamide
CID 162595114
N-[(3R)-1-(3-amino-4-chloro-5-methyl-1,2-benzoxazol-7-yl)pyrrolidin-3-yl]-2-chloro-4-(1,2,4-triazol-4-yl)benzamide
CID 118457032
N-[(3R)-1-(4-carbamimidoyl-5-chloro-3-hydroxy-2-pyridinyl)pyrrolidin-3-yl]-2-chloro-4-(1-methyl-6-oxopyridazin-3-yl)benzamide
CID 136928985
N-[(3R)-1-(3-amino-1,2-benzoxazol-7-yl)pyrrolidin-3-yl]-2-chloro-4-(1,2,4-triazol-4-yl)benzamide
CID 126842983

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
The IUPAC name of N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide (CID 129098553) is N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide.
What is the SMILES notation for N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
The canonical SMILES for N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide is Nc1noc2c(N3CCC(NC(=O)c4ccc(-c5ccc6nncn6c5)cc4Cl)C3)ncc(Cl)c12.
What is the InChIKey of N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
The InChIKey is PJCAVVLWGQHNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N8O2/c24-16-7-12(13-2-4-18-30-28-11-33(18)9-13)1-3-15(16)23(34)29-14-5-6-32(10-14)22-20-19(17(25)8-27-22)21(26)31-35-20/h1-4,7-9,11,14H,5-6,10H2,(H2,26,31)(H,29,34).
What are the key properties of N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide has a molecular weight of 509.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)pyrrolidin-3-yl]-2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide is sourced from PubChem (CID 129098553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).