2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile

C21H20N8 — CID 168977755

IUPAC2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCNC1CCN(c2ccc3nc(-c4cc(C#N)c5nc(C)cn5c4)ncc3n2)C1
InChIInChI=1S/C21H20N8/c1-13-10-29-11-15(7-14(8-22)21(29)25-13)20-24-9-18-17(27-20)3-4-19(26-18)28-6-5-16(12-28)23-2/h3-4,7,9-11,16,23H,5-6,12H2,1-2H3
InChIKeyWDXCJBDZCBAJOR-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.32
Rot. Bonds3

About 2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile

2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 168977755) has the molecular formula C21H20N8 and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID168977755
Molecular FormulaC21H20N8
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCNC1CCN(c2ccc3nc(-c4cc(C#N)c5nc(C)cn5c4)ncc3n2)C1
InChIInChI=1S/C21H20N8/c1-13-10-29-11-15(7-14(8-22)21(29)25-13)20-24-9-18-17(27-20)3-4-19(26-18)28-6-5-16(12-28)23-2/h3-4,7,9-11,16,23H,5-6,12H2,1-2H3
InChIKeyWDXCJBDZCBAJOR-UHFFFAOYSA-N
XLogP2.32
TPSA95.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile (CID 168977755) is 2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile is CNC1CCN(c2ccc3nc(-c4cc(C#N)c5nc(C)cn5c4)ncc3n2)C1.
What is the InChIKey of 2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is WDXCJBDZCBAJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8/c1-13-10-29-11-15(7-14(8-22)21(29)25-13)20-24-9-18-17(27-20)3-4-19(26-18)28-6-5-16(12-28)23-2/h3-4,7,9-11,16,23H,5-6,12H2,1-2H3.
What are the key properties of 2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile?
2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 384.45 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 168977755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).