4-[7-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline

C29H28N6 — CID 139326714

IUPAC4-[7-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCN(C6CC6)CC5)nc4)ccn23)c2ccccc2n1
InChIInChI=1S/C29H28N6/c1-20-16-25(24-4-2-3-5-26(24)32-20)27-19-31-29-17-21(10-11-35(27)29)22-6-9-28(30-18-22)34-14-12-33(13-15-34)23-7-8-23/h2-6,9-11,16-19,23H,7-8,12-15H2,1H3
InChIKeyIDLLLTIHRYTTMA-UHFFFAOYSA-N
MW460.59 g/mol
LogP5.20
Rot. Bonds4

About 4-[7-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline

4-[7-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline (PubChem CID 139326714) has the molecular formula C29H28N6 and a molecular weight of 460.59 g/mol. Its IUPAC name is 4-[7-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline.

Molecular Properties

Compound Name4-[7-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
PubChem CID139326714
Molecular FormulaC29H28N6
Molecular Weight460.59 g/mol
Exact Mass460.24
IUPAC Name4-[7-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCN(C6CC6)CC5)nc4)ccn23)c2ccccc2n1
InChIInChI=1S/C29H28N6/c1-20-16-25(24-4-2-3-5-26(24)32-20)27-19-31-29-17-21(10-11-35(27)29)22-6-9-28(30-18-22)34-14-12-33(13-15-34)23-7-8-23/h2-6,9-11,16-19,23H,7-8,12-15H2,1H3
InChIKeyIDLLLTIHRYTTMA-UHFFFAOYSA-N
XLogP5.20
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.59
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline?
The IUPAC name of 4-[7-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline (CID 139326714) is 4-[7-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline.
What is the SMILES notation for 4-[7-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline?
The canonical SMILES for 4-[7-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline is Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C6CC6)CC5)nc4)ccn23)c2ccccc2n1.
What is the InChIKey of 4-[7-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline?
The InChIKey is IDLLLTIHRYTTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6/c1-20-16-25(24-4-2-3-5-26(24)32-20)27-19-31-29-17-21(10-11-35(27)29)22-6-9-28(30-18-22)34-14-12-33(13-15-34)23-7-8-23/h2-6,9-11,16-19,23H,7-8,12-15H2,1H3.
What are the key properties of 4-[7-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline?
4-[7-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline has a molecular weight of 460.59 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline is sourced from PubChem (CID 139326714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).