5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C24H25N9 — CID 168773212

IUPAC5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCN(c2ccc(CNc3ncc4c(-c5ccc6nccn6c5)c[nH]c4n3)cn2)CC1
InChIInChI=1S/C24H25N9/c1-31-8-10-32(11-9-31)22-4-2-17(12-26-22)13-28-24-29-15-20-19(14-27-23(20)30-24)18-3-5-21-25-6-7-33(21)16-18/h2-7,12,14-16H,8-11,13H2,1H3,(H2,27,28,29,30)
InChIKeyVZVMOBZULANGFN-UHFFFAOYSA-N
MW439.53 g/mol
LogP3.03
Rot. Bonds5

About 5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168773212) has the molecular formula C24H25N9 and a molecular weight of 439.53 g/mol. Its IUPAC name is 5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168773212
Molecular FormulaC24H25N9
Molecular Weight439.53 g/mol
Exact Mass439.22
IUPAC Name5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCN(c2ccc(CNc3ncc4c(-c5ccc6nccn6c5)c[nH]c4n3)cn2)CC1
InChIInChI=1S/C24H25N9/c1-31-8-10-32(11-9-31)22-4-2-17(12-26-22)13-28-24-29-15-20-19(14-27-23(20)30-24)18-3-5-21-25-6-7-33(21)16-18/h2-7,12,14-16H,8-11,13H2,1H3,(H2,27,28,29,30)
InChIKeyVZVMOBZULANGFN-UHFFFAOYSA-N
XLogP3.03
TPSA90.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168773212) is 5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CN1CCN(c2ccc(CNc3ncc4c(-c5ccc6nccn6c5)c[nH]c4n3)cn2)CC1.
What is the InChIKey of 5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is VZVMOBZULANGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9/c1-31-8-10-32(11-9-31)22-4-2-17(12-26-22)13-28-24-29-15-20-19(14-27-23(20)30-24)18-3-5-21-25-6-7-33(21)16-18/h2-7,12,14-16H,8-11,13H2,1H3,(H2,27,28,29,30).
What are the key properties of 5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 439.53 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168773212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).