2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C23H29N7 — CID 75450397

IUPAC2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCc1cc(N2CCN(Cc3c(C)nc4n3CCCC4)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C23H29N7/c1-17-14-22(27-23(25-17)19-6-5-8-24-15-19)29-12-10-28(11-13-29)16-20-18(2)26-21-7-3-4-9-30(20)21/h5-6,8,14-15H,3-4,7,9-13,16H2,1-2H3
InChIKeyBDBRCNJQTLBVFG-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.01
Rot. Bonds4

About 2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 75450397) has the molecular formula C23H29N7 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID75450397
Molecular FormulaC23H29N7
Molecular Weight403.53 g/mol
Exact Mass403.25
IUPAC Name2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCc1cc(N2CCN(Cc3c(C)nc4n3CCCC4)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C23H29N7/c1-17-14-22(27-23(25-17)19-6-5-8-24-15-19)29-12-10-28(11-13-29)16-20-18(2)26-21-7-3-4-9-30(20)21/h5-6,8,14-15H,3-4,7,9-13,16H2,1-2H3
InChIKeyBDBRCNJQTLBVFG-UHFFFAOYSA-N
XLogP3.01
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 75450397) is 2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is Cc1cc(N2CCN(Cc3c(C)nc4n3CCCC4)CC2)nc(-c2cccnc2)n1.
What is the InChIKey of 2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is BDBRCNJQTLBVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7/c1-17-14-22(27-23(25-17)19-6-5-8-24-15-19)29-12-10-28(11-13-29)16-20-18(2)26-21-7-3-4-9-30(20)21/h5-6,8,14-15H,3-4,7,9-13,16H2,1-2H3.
What are the key properties of 2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 403.53 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 75450397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).