2-methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline

C29H30N6 — CID 139326708

IUPAC2-methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCN(C(C)C)CC5)nc4)ccn23)c2ccccc2n1
InChIInChI=1S/C29H30N6/c1-20(2)33-12-14-34(15-13-33)28-9-8-23(18-30-28)22-10-11-35-27(19-31-29(35)17-22)25-16-21(3)32-26-7-5-4-6-24(25)26/h4-11,16-20H,12-15H2,1-3H3
InChIKeyMIQNNSWBNZHANG-UHFFFAOYSA-N
MW462.60 g/mol
LogP5.45
Rot. Bonds4

About 2-methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline

2-methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 139326708) has the molecular formula C29H30N6 and a molecular weight of 462.60 g/mol. Its IUPAC name is 2-methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name2-methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline
PubChem CID139326708
Molecular FormulaC29H30N6
Molecular Weight462.60 g/mol
Exact Mass462.25
IUPAC Name2-methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCN(C(C)C)CC5)nc4)ccn23)c2ccccc2n1
InChIInChI=1S/C29H30N6/c1-20(2)33-12-14-34(15-13-33)28-9-8-23(18-30-28)22-10-11-35-27(19-31-29(35)17-22)25-16-21(3)32-26-7-5-4-6-24(25)26/h4-11,16-20H,12-15H2,1-3H3
InChIKeyMIQNNSWBNZHANG-UHFFFAOYSA-N
XLogP5.45
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 2-methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline (CID 139326708) is 2-methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 2-methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 2-methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline is Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C(C)C)CC5)nc4)ccn23)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is MIQNNSWBNZHANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6/c1-20(2)33-12-14-34(15-13-33)28-9-8-23(18-30-28)22-10-11-35-27(19-31-29(35)17-22)25-16-21(3)32-26-7-5-4-6-24(25)26/h4-11,16-20H,12-15H2,1-3H3.
What are the key properties of 2-methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
2-methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 462.60 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 139326708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).