1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol

C26H31N7O2 — CID 68606042

IUPAC1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol
SMILESCOc1cc(N2CCN(CC(C)O)CC2)ccc1Nc1ncc(C)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C26H31N7O2/c1-18-15-28-26(30-25(18)22-16-27-24-6-4-5-9-33(22)24)29-21-8-7-20(14-23(21)35-3)32-12-10-31(11-13-32)17-19(2)34/h4-9,14-16,19,34H,10-13,17H2,1-3H3,(H,28,29,30)
InChIKeyBQUBGIFYQROIGQ-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.35
Rot. Bonds7

About 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol

1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol (PubChem CID 68606042) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol
PubChem CID68606042
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol
SMILESCOc1cc(N2CCN(CC(C)O)CC2)ccc1Nc1ncc(C)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C26H31N7O2/c1-18-15-28-26(30-25(18)22-16-27-24-6-4-5-9-33(22)24)29-21-8-7-20(14-23(21)35-3)32-12-10-31(11-13-32)17-19(2)34/h4-9,14-16,19,34H,10-13,17H2,1-3H3,(H,28,29,30)
InChIKeyBQUBGIFYQROIGQ-UHFFFAOYSA-N
XLogP3.35
TPSA91.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol (CID 68606042) is 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol is COc1cc(N2CCN(CC(C)O)CC2)ccc1Nc1ncc(C)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol?
The InChIKey is BQUBGIFYQROIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-18-15-28-26(30-25(18)22-16-27-24-6-4-5-9-33(22)24)29-21-8-7-20(14-23(21)35-3)32-12-10-31(11-13-32)17-19(2)34/h4-9,14-16,19,34H,10-13,17H2,1-3H3,(H,28,29,30).
What are the key properties of 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol?
1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol has a molecular weight of 473.58 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 68606042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).