N-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine

C31H34N10O — CID 164612924

IUPACN-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(-c2c(C)nn(C)c2C)cnc1-c1nnc(N(C)Cc2ccc3ncc(-c4ccc(CN(C)C)nc4)n3c2)o1
InChIInChI=1S/C31H34N10O/c1-19-12-24(28-20(2)37-40(7)21(28)3)14-34-29(19)30-35-36-31(42-30)39(6)16-22-8-11-27-33-15-26(41(27)17-22)23-9-10-25(32-13-23)18-38(4)5/h8-15,17H,16,18H2,1-7H3
InChIKeyUTBSDUWDAGZLFH-UHFFFAOYSA-N
MW562.68 g/mol
LogP4.87
Rot. Bonds8

About N-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine

N-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 164612924) has the molecular formula C31H34N10O and a molecular weight of 562.68 g/mol. Its IUPAC name is N-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine
PubChem CID164612924
Molecular FormulaC31H34N10O
Molecular Weight562.68 g/mol
Exact Mass562.29
IUPAC NameN-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(-c2c(C)nn(C)c2C)cnc1-c1nnc(N(C)Cc2ccc3ncc(-c4ccc(CN(C)C)nc4)n3c2)o1
InChIInChI=1S/C31H34N10O/c1-19-12-24(28-20(2)37-40(7)21(28)3)14-34-29(19)30-35-36-31(42-30)39(6)16-22-8-11-27-33-15-26(41(27)17-22)23-9-10-25(32-13-23)18-38(4)5/h8-15,17H,16,18H2,1-7H3
InChIKeyUTBSDUWDAGZLFH-UHFFFAOYSA-N
XLogP4.87
TPSA106.30 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 164612924) is N-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine is Cc1cc(-c2c(C)nn(C)c2C)cnc1-c1nnc(N(C)Cc2ccc3ncc(-c4ccc(CN(C)C)nc4)n3c2)o1.
What is the InChIKey of N-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UTBSDUWDAGZLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N10O/c1-19-12-24(28-20(2)37-40(7)21(28)3)14-34-29(19)30-35-36-31(42-30)39(6)16-22-8-11-27-33-15-26(41(27)17-22)23-9-10-25(32-13-23)18-38(4)5/h8-15,17H,16,18H2,1-7H3.
What are the key properties of N-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
N-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 562.68 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[6-[(dimethylamino)methyl]-3-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 164612924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).