4-[1-(2-cyclopropyl-3-methyl-1,8-naphthyridin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

C25H29N5O — CID 50939210

IUPAC4-[1-(2-cyclopropyl-3-methyl-1,8-naphthyridin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCc1c(C2CC2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C25H29N5O/c1-16-21(17-6-7-17)28-24-19(5-4-8-26-24)22(16)30-15-25(2,3)23-20(30)13-18(14-27-23)29-9-11-31-12-10-29/h4-5,8,13-14,17H,6-7,9-12,15H2,1-3H3
InChIKeyVEBSGICRZVVXGM-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.48
Rot. Bonds3

About 4-[1-(2-cyclopropyl-3-methyl-1,8-naphthyridin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

4-[1-(2-cyclopropyl-3-methyl-1,8-naphthyridin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (PubChem CID 50939210) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-[1-(2-cyclopropyl-3-methyl-1,8-naphthyridin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-cyclopropyl-3-methyl-1,8-naphthyridin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
PubChem CID50939210
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name4-[1-(2-cyclopropyl-3-methyl-1,8-naphthyridin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
SMILESCc1c(C2CC2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C25H29N5O/c1-16-21(17-6-7-17)28-24-19(5-4-8-26-24)22(16)30-15-25(2,3)23-20(30)13-18(14-27-23)29-9-11-31-12-10-29/h4-5,8,13-14,17H,6-7,9-12,15H2,1-3H3
InChIKeyVEBSGICRZVVXGM-UHFFFAOYSA-N
XLogP4.48
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-cyclopropyl-3-methyl-1,8-naphthyridin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The IUPAC name of 4-[1-(2-cyclopropyl-3-methyl-1,8-naphthyridin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (CID 50939210) is 4-[1-(2-cyclopropyl-3-methyl-1,8-naphthyridin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.
What is the SMILES notation for 4-[1-(2-cyclopropyl-3-methyl-1,8-naphthyridin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The canonical SMILES for 4-[1-(2-cyclopropyl-3-methyl-1,8-naphthyridin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is Cc1c(C2CC2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21.
What is the InChIKey of 4-[1-(2-cyclopropyl-3-methyl-1,8-naphthyridin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
The InChIKey is VEBSGICRZVVXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-16-21(17-6-7-17)28-24-19(5-4-8-26-24)22(16)30-15-25(2,3)23-20(30)13-18(14-27-23)29-9-11-31-12-10-29/h4-5,8,13-14,17H,6-7,9-12,15H2,1-3H3.
What are the key properties of 4-[1-(2-cyclopropyl-3-methyl-1,8-naphthyridin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?
4-[1-(2-cyclopropyl-3-methyl-1,8-naphthyridin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine has a molecular weight of 415.54 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-cyclopropyl-3-methyl-1,8-naphthyridin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 50939210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).