6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole

C23H24FN5O2 — CID 163254017

IUPAC6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole
SMILESFc1cnc2c(C3CCN(c4ccc5nc(N6CCOCC6)oc5c4)CC3)c[nH]c2c1
InChIInChI=1S/C23H24FN5O2/c24-16-11-20-22(26-13-16)18(14-25-20)15-3-5-28(6-4-15)17-1-2-19-21(12-17)31-23(27-19)29-7-9-30-10-8-29/h1-2,11-15,25H,3-10H2
InChIKeyBDNRUPYWXBTBBW-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.06
Rot. Bonds3

About 6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole

6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole (PubChem CID 163254017) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole
PubChem CID163254017
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole
SMILESFc1cnc2c(C3CCN(c4ccc5nc(N6CCOCC6)oc5c4)CC3)c[nH]c2c1
InChIInChI=1S/C23H24FN5O2/c24-16-11-20-22(26-13-16)18(14-25-20)15-3-5-28(6-4-15)17-1-2-19-21(12-17)31-23(27-19)29-7-9-30-10-8-29/h1-2,11-15,25H,3-10H2
InChIKeyBDNRUPYWXBTBBW-UHFFFAOYSA-N
XLogP4.06
TPSA70.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole?
The IUPAC name of 6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole (CID 163254017) is 6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole?
The canonical SMILES for 6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole is Fc1cnc2c(C3CCN(c4ccc5nc(N6CCOCC6)oc5c4)CC3)c[nH]c2c1.
What is the InChIKey of 6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole?
The InChIKey is BDNRUPYWXBTBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c24-16-11-20-22(26-13-16)18(14-25-20)15-3-5-28(6-4-15)17-1-2-19-21(12-17)31-23(27-19)29-7-9-30-10-8-29/h1-2,11-15,25H,3-10H2.
What are the key properties of 6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole?
6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole has a molecular weight of 421.48 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 163254017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).