6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine

C27H40N8O — CID 159171936

IUPAC6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCOC1(CCN2CCNCC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1
InChIInChI=1S/C27H40N8O/c1-20(2)35-21(3)31-24-19-30-23(18-25(24)35)17-22-5-9-29-26(32-22)34-13-7-27(36-4,8-14-34)6-12-33-15-10-28-11-16-33/h5,9,18-20,28H,6-8,10-17H2,1-4H3
InChIKeyMIPWUTNRVBMQDC-UHFFFAOYSA-N
MW492.67 g/mol
LogP2.98
Rot. Bonds8

About 6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine

6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 159171936) has the molecular formula C27H40N8O and a molecular weight of 492.67 g/mol. Its IUPAC name is 6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID159171936
Molecular FormulaC27H40N8O
Molecular Weight492.67 g/mol
Exact Mass492.33
IUPAC Name6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCOC1(CCN2CCNCC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1
InChIInChI=1S/C27H40N8O/c1-20(2)35-21(3)31-24-19-30-23(18-25(24)35)17-22-5-9-29-26(32-22)34-13-7-27(36-4,8-14-34)6-12-33-15-10-28-11-16-33/h5,9,18-20,28H,6-8,10-17H2,1-4H3
InChIKeyMIPWUTNRVBMQDC-UHFFFAOYSA-N
XLogP2.98
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.67
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine (CID 159171936) is 6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine is COC1(CCN2CCNCC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.
What is the InChIKey of 6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is MIPWUTNRVBMQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N8O/c1-20(2)35-21(3)31-24-19-30-23(18-25(24)35)17-22-5-9-29-26(32-22)34-13-7-27(36-4,8-14-34)6-12-33-15-10-28-11-16-33/h5,9,18-20,28H,6-8,10-17H2,1-4H3.
What are the key properties of 6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine?
6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 492.67 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 159171936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).