N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine

C25H25N9O — CID 162660174

IUPACN,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
SMILESCc1nnc(-c2ccc3c(c2)c(-c2nc4nccc(-n5cc(CN(C)C)c(C)n5)c4[nH]2)cn3C)o1
InChIInChI=1S/C25H25N9O/c1-14-17(11-32(3)4)12-34(31-14)21-8-9-26-24-22(21)27-23(28-24)19-13-33(5)20-7-6-16(10-18(19)20)25-30-29-15(2)35-25/h6-10,12-13H,11H2,1-5H3,(H,26,27,28)
InChIKeyFVXDILXWZVVTOB-UHFFFAOYSA-N
MW467.54 g/mol
LogP4.03
Rot. Bonds5

About N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine

N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine (PubChem CID 162660174) has the molecular formula C25H25N9O and a molecular weight of 467.54 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
PubChem CID162660174
Molecular FormulaC25H25N9O
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC NameN,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
SMILESCc1nnc(-c2ccc3c(c2)c(-c2nc4nccc(-n5cc(CN(C)C)c(C)n5)c4[nH]2)cn3C)o1
InChIInChI=1S/C25H25N9O/c1-14-17(11-32(3)4)12-34(31-14)21-8-9-26-24-22(21)27-23(28-24)19-13-33(5)20-7-6-16(10-18(19)20)25-30-29-15(2)35-25/h6-10,12-13H,11H2,1-5H3,(H,26,27,28)
InChIKeyFVXDILXWZVVTOB-UHFFFAOYSA-N
XLogP4.03
TPSA106.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine (CID 162660174) is N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine is Cc1nnc(-c2ccc3c(c2)c(-c2nc4nccc(-n5cc(CN(C)C)c(C)n5)c4[nH]2)cn3C)o1.
What is the InChIKey of N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine?
The InChIKey is FVXDILXWZVVTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O/c1-14-17(11-32(3)4)12-34(31-14)21-8-9-26-24-22(21)27-23(28-24)19-13-33(5)20-7-6-16(10-18(19)20)25-30-29-15(2)35-25/h6-10,12-13H,11H2,1-5H3,(H,26,27,28).
What are the key properties of N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine?
N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine has a molecular weight of 467.54 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 162660174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).