7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one

C25H32N4O3 — CID 144702195

IUPAC7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one
SMILESCCN1CCN(Cc2cc3c(=O)n(C)cc(-c4ccnc(OCC5CC5)c4)c3o2)[C@H](C)C1
InChIInChI=1S/C25H32N4O3/c1-4-28-9-10-29(17(2)13-28)14-20-12-21-24(32-20)22(15-27(3)25(21)30)19-7-8-26-23(11-19)31-16-18-5-6-18/h7-8,11-12,15,17-18H,4-6,9-10,13-14,16H2,1-3H3/t17-/m1/s1
InChIKeySSLMCPJRCYFEFK-QGZVFWFLSA-N
MW436.56 g/mol
LogP3.51
Rot. Bonds7

About 7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one

7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one (PubChem CID 144702195) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one
PubChem CID144702195
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one
SMILESCCN1CCN(Cc2cc3c(=O)n(C)cc(-c4ccnc(OCC5CC5)c4)c3o2)[C@H](C)C1
InChIInChI=1S/C25H32N4O3/c1-4-28-9-10-29(17(2)13-28)14-20-12-21-24(32-20)22(15-27(3)25(21)30)19-7-8-26-23(11-19)31-16-18-5-6-18/h7-8,11-12,15,17-18H,4-6,9-10,13-14,16H2,1-3H3/t17-/m1/s1
InChIKeySSLMCPJRCYFEFK-QGZVFWFLSA-N
XLogP3.51
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one?
The IUPAC name of 7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one (CID 144702195) is 7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one?
The canonical SMILES for 7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one is CCN1CCN(Cc2cc3c(=O)n(C)cc(-c4ccnc(OCC5CC5)c4)c3o2)[C@H](C)C1.
What is the InChIKey of 7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one?
The InChIKey is SSLMCPJRCYFEFK-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-4-28-9-10-29(17(2)13-28)14-20-12-21-24(32-20)22(15-27(3)25(21)30)19-7-8-26-23(11-19)31-16-18-5-6-18/h7-8,11-12,15,17-18H,4-6,9-10,13-14,16H2,1-3H3/t17-/m1/s1.
What are the key properties of 7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one?
7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one has a molecular weight of 436.56 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclopropylmethoxy)-4-pyridinyl]-2-[[(2R)-4-ethyl-2-methylpiperazin-1-yl]methyl]-5-methylfuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 144702195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).