2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine

C23H33N7 — CID 131671372

IUPAC2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine
SMILESCC(C)n1cc(CN2CCN(C)C(c3cn4c(N5CCCC5)cccc4n3)C2)cn1
InChIInChI=1S/C23H33N7/c1-18(2)30-15-19(13-24-30)14-27-12-11-26(3)21(17-27)20-16-29-22(25-20)7-6-8-23(29)28-9-4-5-10-28/h6-8,13,15-16,18,21H,4-5,9-12,14,17H2,1-3H3
InChIKeyZEULUJFMQHGLBL-UHFFFAOYSA-N
MW407.57 g/mol
LogP3.20
Rot. Bonds5

About 2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine

2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine (PubChem CID 131671372) has the molecular formula C23H33N7 and a molecular weight of 407.57 g/mol. Its IUPAC name is 2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine
PubChem CID131671372
Molecular FormulaC23H33N7
Molecular Weight407.57 g/mol
Exact Mass407.28
IUPAC Name2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine
SMILESCC(C)n1cc(CN2CCN(C)C(c3cn4c(N5CCCC5)cccc4n3)C2)cn1
InChIInChI=1S/C23H33N7/c1-18(2)30-15-19(13-24-30)14-27-12-11-26(3)21(17-27)20-16-29-22(25-20)7-6-8-23(29)28-9-4-5-10-28/h6-8,13,15-16,18,21H,4-5,9-12,14,17H2,1-3H3
InChIKeyZEULUJFMQHGLBL-UHFFFAOYSA-N
XLogP3.20
TPSA44.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.57
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine (CID 131671372) is 2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine is CC(C)n1cc(CN2CCN(C)C(c3cn4c(N5CCCC5)cccc4n3)C2)cn1.
What is the InChIKey of 2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine?
The InChIKey is ZEULUJFMQHGLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7/c1-18(2)30-15-19(13-24-30)14-27-12-11-26(3)21(17-27)20-16-29-22(25-20)7-6-8-23(29)28-9-4-5-10-28/h6-8,13,15-16,18,21H,4-5,9-12,14,17H2,1-3H3.
What are the key properties of 2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine?
2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine has a molecular weight of 407.57 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 131671372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).