4-[1-(cyclopropylmethyl)-6-(1H-indol-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine

C22H23N5O — CID 118720882

IUPAC4-[1-(cyclopropylmethyl)-6-(1H-indol-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
SMILESc1cc(-c2cc3c(ncn3CC3CC3)c(N3CCOCC3)n2)c2cc[nH]c2c1
InChIInChI=1S/C22H23N5O/c1-2-16(17-6-7-23-18(17)3-1)19-12-20-21(24-14-27(20)13-15-4-5-15)22(25-19)26-8-10-28-11-9-26/h1-3,6-7,12,14-15,23H,4-5,8-11,13H2
InChIKeyCSHYMHUHOZSPJJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.83
Rot. Bonds4

About 4-[1-(cyclopropylmethyl)-6-(1H-indol-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine

4-[1-(cyclopropylmethyl)-6-(1H-indol-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine (PubChem CID 118720882) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)-6-(1H-indol-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)-6-(1H-indol-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
PubChem CID118720882
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-[1-(cyclopropylmethyl)-6-(1H-indol-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
SMILESc1cc(-c2cc3c(ncn3CC3CC3)c(N3CCOCC3)n2)c2cc[nH]c2c1
InChIInChI=1S/C22H23N5O/c1-2-16(17-6-7-23-18(17)3-1)19-12-20-21(24-14-27(20)13-15-4-5-15)22(25-19)26-8-10-28-11-9-26/h1-3,6-7,12,14-15,23H,4-5,8-11,13H2
InChIKeyCSHYMHUHOZSPJJ-UHFFFAOYSA-N
XLogP3.83
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)-6-(1H-indol-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine?
The IUPAC name of 4-[1-(cyclopropylmethyl)-6-(1H-indol-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine (CID 118720882) is 4-[1-(cyclopropylmethyl)-6-(1H-indol-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)-6-(1H-indol-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[1-(cyclopropylmethyl)-6-(1H-indol-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine is c1cc(-c2cc3c(ncn3CC3CC3)c(N3CCOCC3)n2)c2cc[nH]c2c1.
What is the InChIKey of 4-[1-(cyclopropylmethyl)-6-(1H-indol-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine?
The InChIKey is CSHYMHUHOZSPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-2-16(17-6-7-23-18(17)3-1)19-12-20-21(24-14-27(20)13-15-4-5-15)22(25-19)26-8-10-28-11-9-26/h1-3,6-7,12,14-15,23H,4-5,8-11,13H2.
What are the key properties of 4-[1-(cyclopropylmethyl)-6-(1H-indol-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine?
4-[1-(cyclopropylmethyl)-6-(1H-indol-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine has a molecular weight of 373.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)-6-(1H-indol-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 118720882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).