4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine

C25H31N5O — CID 118152811

IUPAC4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine
SMILESCN1CCN(c2ccc(-c3nccc4[nH]c(C5(N6CCOCC6)CC5)cc34)cc2)CC1
InChIInChI=1S/C25H31N5O/c1-28-10-12-29(13-11-28)20-4-2-19(3-5-20)24-21-18-23(27-22(21)6-9-26-24)25(7-8-25)30-14-16-31-17-15-30/h2-6,9,18,27H,7-8,10-17H2,1H3
InChIKeyYPMDNZPVJCLIFG-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.30
Rot. Bonds4

About 4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine

4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine (PubChem CID 118152811) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine.

Molecular Properties

Compound Name4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine
PubChem CID118152811
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine
SMILESCN1CCN(c2ccc(-c3nccc4[nH]c(C5(N6CCOCC6)CC5)cc34)cc2)CC1
InChIInChI=1S/C25H31N5O/c1-28-10-12-29(13-11-28)20-4-2-19(3-5-20)24-21-18-23(27-22(21)6-9-26-24)25(7-8-25)30-14-16-31-17-15-30/h2-6,9,18,27H,7-8,10-17H2,1H3
InChIKeyYPMDNZPVJCLIFG-UHFFFAOYSA-N
XLogP3.30
TPSA47.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine?
The IUPAC name of 4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine (CID 118152811) is 4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine.
What is the SMILES notation for 4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine?
The canonical SMILES for 4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine is CN1CCN(c2ccc(-c3nccc4[nH]c(C5(N6CCOCC6)CC5)cc34)cc2)CC1.
What is the InChIKey of 4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine?
The InChIKey is YPMDNZPVJCLIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-28-10-12-29(13-11-28)20-4-2-19(3-5-20)24-21-18-23(27-22(21)6-9-26-24)25(7-8-25)30-14-16-31-17-15-30/h2-6,9,18,27H,7-8,10-17H2,1H3.
What are the key properties of 4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine?
4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine has a molecular weight of 417.56 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]cyclopropyl]morpholine is sourced from PubChem (CID 118152811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).